eMolecules #,InChi,InChiKey,SMILES
16148999,"InChI=1S/C13H15ClN4O3S2/c1-8(2)11(19)15-12-16-17-13(22-12)23(20,21)18(3)10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,15,16,19)",WNFQBLFGULFRST-UHFFFAOYSA-N,CC(C(Nc1sc(S(N(c2ccc(Cl)cc2)C)(=O)=O)nn1)=O)C
27476638,"InChI=1S/C12H15Cl2N5O2S/c1-17(2)11-15-12(18(3)4)19(16-11)22(20,21)10-7-8(13)5-6-9(10)14/h5-7H,1-4H3",RDINLJGAFXGDIW-UHFFFAOYSA-N,CN(c1nn(S(c2c(Cl)ccc(Cl)c2)(=O)=O)c(N(C)C)n1)C
4876820,"InChI=1S/C12H16ClN5O2S/c1-16(2)11-14-12(17(3)4)18(15-11)21(19,20)10-7-5-9(13)6-8-10/h5-8H,1-4H3",CGKUPUWKVNVRST-UHFFFAOYSA-N,CN(c1nn(S(c2ccc(Cl)cc2)(=O)=O)c(N(C)C)n1)C
16148987,"InChI=1S/C14H11ClN4O4S2/c1-19(10-6-4-9(15)5-7-10)25(21,22)14-18-17-13(24-14)16-12(20)11-3-2-8-23-11/h2-8H,1H3,(H,16,17,20)",AYRIXCOTBQJLJL-UHFFFAOYSA-N,CN(S(c1sc(NC(c2occc2)=O)nn1)(=O)=O)c3ccc(Cl)cc3
36301724,"InChI=1S/C17H17N3O3S/c1-19-12-17(18-13-19)24(21,22)20(2)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-13H,1-2H3",SNGYDVAZHIXBQX-UHFFFAOYSA-N,Cn1cnc(S(N(c2ccc(Oc3ccccc3)cc2)C)(=O)=O)c1
16148991,"InChI=1S/C17H15ClN4O3S2/c1-11-5-3-4-6-14(11)15(23)19-16-20-21-17(26-16)27(24,25)22(2)13-9-7-12(18)8-10-13/h3-10H,1-2H3,(H,19,20,23)",WLXBACGVBNWEFO-UHFFFAOYSA-N,Cc1c(C(Nc2sc(S(N(c3ccc(Cl)cc3)C)(=O)=O)nn2)=O)cccc1
36013829,"InChI=1S/C17H23N3O4S/c1-12(2)10-20-11-15(17(21)24-5)16(18-20)25(22,23)19(4)14-8-6-13(3)7-9-14/h6-9,11-12H,10H2,1-5H3",JRCHLNOVSOFDOK-UHFFFAOYSA-N,Cc1ccc(N(S(c2nn(CC(C)C)cc2C(OC)=O)(=O)=O)C)cc1
16148985,"InChI=1S/C16H13ClN4O3S2/c1-21(13-9-7-12(17)8-10-13)26(23,24)16-20-19-15(25-16)18-14(22)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,22)",ZOOYNDJXDQHQAU-UHFFFAOYSA-N,CN(S(c1sc(NC(c2ccccc2)=O)nn1)(=O)=O)c3ccc(Cl)cc3
16148995,"InChI=1S/C17H15ClN4O4S2/c1-22(12-9-7-11(18)8-10-12)28(24,25)17-21-20-16(27-17)19-15(23)13-5-3-4-6-14(13)26-2/h3-10H,1-2H3,(H,19,20,23)",LEANCGUAFJOZOX-UHFFFAOYSA-N,CN(S(c1sc(NC(c2c(OC)cccc2)=O)nn1)(=O)=O)c3ccc(Cl)cc3
16148415,"InChI=1S/C16H13ClN4O3S2/c1-21(13-5-3-2-4-6-13)26(23,24)16-20-19-15(25-16)18-14(22)11-7-9-12(17)10-8-11/h2-10H,1H3,(H,18,19,22)",VWHXKLVQUWQIFY-UHFFFAOYSA-N,CN(S(c1sc(NC(c2ccc(Cl)cc2)=O)nn1)(=O)=O)c3ccccc3
4884454,"InChI=1S/C12H15Cl2N5O2S/c1-17(2)11-15-12(18(3)4)19(16-11)22(20,21)10-6-5-8(13)7-9(10)14/h5-7H,1-4H3",ZOENIZOEIOJERY-UHFFFAOYSA-N,CN(c1nn(S(c2c(Cl)cc(Cl)cc2)(=O)=O)c(N(C)C)n1)C
31634913,"InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3",HFEJHAAIJZXXRE-UHFFFAOYSA-N,CCN(C(n1nc(S(c2c(C)cc(C)cc2C)(=O)=O)nc1)=O)CC
1480702,"InChI=1S/C17H15ClN4O3S2/c1-11(23)19-14-7-9-15(10-8-14)27(24,25)22-17(26-2)20-16(21-22)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,23)",GWZHELRBKCSPFK-UHFFFAOYSA-N,CC(Nc1ccc(S(n2nc(c3ccc(Cl)cc3)nc2SC)(=O)=O)cc1)=O
16149003,"InChI=1S/C14H17ClN4O3S2/c1-14(2,3)11(20)16-12-17-18-13(23-12)24(21,22)19(4)10-7-5-9(15)6-8-10/h5-8H,1-4H3,(H,16,17,20)",RWCKJVFANKZIGZ-UHFFFAOYSA-N,CC(C(Nc1sc(S(N(c2ccc(Cl)cc2)C)(=O)=O)nn1)=O)(C)C
TCMDC-134395,N/A,N/A,CN(C)C(=O)n1nc(S(=O)(=O)N(C)c2ccc(Cl)cc2)nc1
16149001,"InChI=1S/C14H17ClN4O3S2/c1-9(2)8-12(20)16-13-17-18-14(23-13)24(21,22)19(3)11-6-4-10(15)5-7-11/h4-7,9H,8H2,1-3H3,(H,16,17,20)",MBTFWYYQZIIKMD-UHFFFAOYSA-N,CC(CC(Nc1sc(S(N(c2ccc(Cl)cc2)C)(=O)=O)nn1)=O)C
16148997,"InChI=1S/C18H17ClN4O5S2/c1-23(13-7-5-12(19)6-8-13)30(25,26)18-22-21-17(29-18)20-16(24)11-4-9-14(27-2)15(10-11)28-3/h4-10H,1-3H3,(H,20,21,24)",FHIKHSSJAMWJLE-UHFFFAOYSA-N,CN(S(c1sc(NC(c2cc(OC)c(OC)cc2)=O)nn1)(=O)=O)c3ccc(Cl)cc3
16149005,"InChI=1S/C16H19ClN4O3S2/c1-21(13-9-7-12(17)8-10-13)26(23,24)16-20-19-15(25-16)18-14(22)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,18,19,22)",ZFZCCUUPWSLNPG-UHFFFAOYSA-N,CN(S(c1sc(NC(C2CCCCC2)=O)nn1)(=O)=O)c3ccc(Cl)cc3
16148989,"InChI=1S/C17H15ClN4O3S2/c1-11-3-5-12(6-4-11)15(23)19-16-20-21-17(26-16)27(24,25)22(2)14-9-7-13(18)8-10-14/h3-10H,1-2H3,(H,19,20,23)",ZRUGAMDBGFYOIU-UHFFFAOYSA-N,Cc1ccc(C(Nc2sc(S(N(c3ccc(Cl)cc3)C)(=O)=O)nn2)=O)cc1
31683024,"InChI=1S/C19H18ClN3O4S/c1-22(16-6-4-3-5-7-16)28(25,26)18-17(19(24)27-2)13-23(21-18)12-14-8-10-15(20)11-9-14/h3-11,13H,12H2,1-2H3",JOMOZPKWHCLHTI-UHFFFAOYSA-N,CN(S(c1nn(Cc2ccc(Cl)cc2)cc1C(OC)=O)(=O)=O)c3ccccc3
27079914,"InChI=1S/C18H15ClN4O3S2/c1-23(15-10-8-14(19)9-11-15)28(25,26)18-22-21-17(27-18)20-16(24)12-7-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,24)/b12-7+",IVEGUZXTYRTUOP-KPKJPENVSA-N,CN(S(c1sc(NC(\C=C\c2ccccc2)=O)nn1)(=O)=O)c3ccc(Cl)cc3
16311027,"InChI=1S/C13H17N3O3S/c1-4-19-12-7-5-11(6-8-12)16(3)20(17,18)13-9-15(2)10-14-13/h5-10H,4H2,1-3H3",OPSBSYKSHDXEKT-UHFFFAOYSA-N,CCOc1ccc(N(S(c2ncn(C)c2)(=O)=O)C)cc1
36782636,"InChI=1S/C7H13N5O3S/c1-3-11(4-2)7(13)12-5-9-6(10-12)16(8,14)15/h5H,3-4H2,1-2H3,(H2,8,14,15)",LOEJWHLUXDAXBF-UHFFFAOYSA-N,CCN(C(n1nc(S(N)(=O)=O)nc1)=O)CC
13409550,"InChI=1S/C13H17N3O4S2/c1-10-13(11(2)16(14-10)21(4,17)18)22(19,20)15(3)12-8-6-5-7-9-12/h5-9H,1-4H3",LGPGRCZBEKAPOW-UHFFFAOYSA-N,Cc1nn(S(C)(=O)=O)c(C)c1S(N(c2ccccc2)C)(=O)=O
16148993,"InChI=1S/C17H15ClN4O3S2/c1-11-4-3-5-12(10-11)15(23)19-16-20-21-17(26-16)27(24,25)22(2)14-8-6-13(18)7-9-14/h3-10H,1-2H3,(H,19,20,23)",HRBAWDWNUGWCOW-UHFFFAOYSA-N,Cc1cc(C(Nc2sc(S(N(c3ccc(Cl)cc3)C)(=O)=O)nn2)=O)ccc1
36787282,"InChI=1S/C10H18N4O3S/c1-5-13(6-2)10(15)14-7-11-9(12-14)18(16,17)8(3)4/h7-8H,5-6H2,1-4H3",YNJRLUJNSWDVQG-UHFFFAOYSA-N,CCN(C(n1nc(S(C(C)C)(=O)=O)nc1)=O)CC