 | | OWL | | Name: | N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine | | Formula: | C18 H17 N7 | | SMILES: | n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4 | | InChi: | InChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25) | | Definition date: | 2009-01-13 | | Last modified: | 2014-12-03 | | Identifier: | N-(1H-imidazol-2-yl)-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine |
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 | | XMQ | | Name: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide | | Formula: | C20 H29 Cl2 N5 O2 S | | SMILES: | Clc1cc(cc(Cl)c1S(=O)(=O)Nc2c(n(nc2C)C)C)CCCN3CCN(C)CC3 | | InChi: | InChI=1S/C20H29Cl2N5O2S/c1-14-19(15(2)26(4)23-14)24-30(28,29)20-17(21)12-16(13-18(20)22)6-5-7-27-10-8-25(3)9-11-27/h12-13,24H,5-11H2,1-4H3 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | 7L5 | | Name: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide | | Formula: | C21 H28 Cl2 F2 N4 O2 S | | SMILES: | Clc1cc(cc(Cl)c1S(=O)(=O)N(c2c(n(nc2C)C)C)C(F)F)CCCC3CCNCC3 | | InChi: | InChI=1S/C21H28Cl2F2N4O2S/c1-13-19(14(2)28(3)27-13)29(21(24)25)32(30,31)20-17(22)11-16(12-18(20)23)6-4-5-15-7-9-26-10-8-15/h11-12,15,21,26H,4-10H2,1-3H3 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | WW3 | | Name: | 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide | | Formula: | C12 H18 N4 O2 S | | SMILES: | O=S(=O)(N)c2ccc(/N=N/N1CCCCCC1)cc2 | | InChi: | InChI=1S/C12H18N4O2S/c13-19(17,18)12-7-5-11(6-8-12)14-15-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10H2,(H2,13,17,18)/b15-14+ | | Definition date: | 2014-04-25 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide |
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 | | KR5 | | Name: | 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide | | Formula: | C14 H18 N4 O3 S | | SMILES: | O=C(n1nc(cc1C)C)CCNc2ccc(cc2)S(=O)(=O)N | | InChi: | InChI=1S/C14H18N4O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-12-3-5-13(6-4-12)22(15,20)21/h3-6,9,16H,7-8H2,1-2H3,(H2,15,20,21) | | Definition date: | 2014-04-25 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide |
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 | | 1WB | | Name: | 5-methoxybenzene-1,3-dicarboxylic acid | | Formula: | C9 H8 O5 | | SMILES: | O=C(O)c1cc(OC)cc(C(=O)O)c1 | | InChi: | InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) | | Definition date: | 2013-06-28 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | 5-methoxybenzene-1,3-dicarboxylic acid |
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 | | REV | | Name: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol | | Formula: | C17 H20 O4 | | SMILES: | O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C | | InChi: | InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1 | | Definition date: | 2014-04-25 | | Last modified: | 2014-10-10 | | Release date: | 2014-10-15 | | Identifier: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol |
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 | | 3E4 | | Name: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide | | Formula: | C32 H31 Cl N6 O3 S | | SMILES: | Clc1ccccc1S(=O)(=O)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)c(c6)C | | InChi: | InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22- | | Definition date: | 2014-07-31 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide |
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 | | 3EL | | Name: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide | | Formula: | C31 H30 N6 O3 S | | SMILES: | O=S(=O)(c1ccccc1)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)cc6 | | InChi: | InChI=1S/C31H30N6O3S/c32-21-12-14-22(15-13-21)35-31-34-20-18-27(36-31)26-11-6-19-33-30(26)40-29-17-16-28(24-9-4-5-10-25(24)29)37-41(38,39)23-7-2-1-3-8-23/h1-11,16-22,37H,12-15,32H2,(H,34,35,36)/t21-,22- | | Definition date: | 2014-07-31 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide |
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 | | IL3 | | Name: | 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene | | Formula: | C11 H14 N2 O3 S | | SMILES: | CC#CCOc1ccc(CN[S](N)(=O)=O)cc1 | | InChi: | InChI=1S/C11H14N2O3S/c1-2-3-8-16-11-6-4-10(5-7-11)9-13-17(12,14)15/h4-7,13H,8-9H2,1H3,(H2,12,14,15) | | Definition date: | 2014-03-03 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene |
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 | | P3U | | Name: | 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C24 H30 Cl2 N6 O2 S | | SMILES: | Clc3cc(c2ccnc(N1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4CC(C)C)C)C | | InChi: | InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3 | | Definition date: | 2013-10-09 | | Last modified: | 2014-09-12 | | Release date: | 2014-09-17 | | Identifier: | 2,6-dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(piperazin-1-yl)pyridin-4-yl]benzenesulfonamide |
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 | | T3E | | Name: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide | | Formula: | C16 H15 N7 O2 S2 | | SMILES: | O=S(=O)(N)c1cccc(c1)Nc2ncc(C#N)c(n2)c3sc(nc3C)NC | | InChi: | InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23) | | Definition date: | 2012-10-02 | | Last modified: | 2014-09-05 | | Release date: | 2013-01-04 | | Identifier: | 3-({5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide |
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 | | P2F | | Name: | 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide | | Formula: | C38 H52 N4 O6 S | | SMILES: | O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2cccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC4 | | InChi: | InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1 | | Definition date: | 2014-01-08 | | Last modified: | 2014-09-05 | | Release date: | 2014-06-18 | | Identifier: | 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide |
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 | | ODO | | Name: | 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol | | Formula: | C8 H9 N O3 | | SMILES: | N(/O)=C(c1ccc(O)cc1O)C | | InChi: | InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3/b9-5+ | | Definition date: | 2012-10-05 | | Last modified: | 2014-09-05 | | Release date: | 2013-06-26 | | Identifier: | 4-[(1E)-N-hydroxyethanimidoyl]benzene-1,3-diol |
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 | | Y46 | | Name: | N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE | | Formula: | C17 H16 N4 O4 S | | SMILES: | O=S(=O)(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3 | | InChi: | InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23) | | Definition date: | 2012-05-02 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-26 | | Identifier: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide |
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 | | Z5K | | Name: | N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide | | Formula: | C13 H19 F3 N2 O2 S | | SMILES: | O=S(=O)(NCCN(CC)CC)c1cc(ccc1)C(F)(F)F | | InChi: | InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3 | | Definition date: | 2012-08-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-04 | | Identifier: | N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide |
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 | | TC0 | | Name: | 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL | | Formula: | C25 H24 N4 O2 | | SMILES: | Oc1ccc(c(O)c1)c5ccc(c2cc(nn2)Nc3ccc(cc3)CNC4CC4)cc5 | | InChi: | InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29) | | Definition date: | 2012-09-26 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-12 | | Identifier: | 4'-[3-({4-[(cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]biphenyl-2,4-diol |
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 | | P9M | | Name: | N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide | | Formula: | C17 H22 N2 O3 S | | SMILES: | O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3CCCC3 | | InChi: | InChI=1S/C17H22N2O3S/c1-11-8-9-14(17-12(2)18-22-13(17)3)10-16(11)23(20,21)19-15-6-4-5-7-15/h8-10,15,19H,4-7H2,1-3H3 | | Definition date: | 2011-11-26 | | Last modified: | 2014-09-05 | | Identifier: | N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide |
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 | | PS8 | | Name: | 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C21 H24 Cl2 N6 O2 S | | SMILES: | Clc3cc(c1ccc(nc1)N2CCNCC2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C | | InChi: | InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-19(25-12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3 | | Definition date: | 2011-09-29 | | Last modified: | 2014-09-05 | | Identifier: | 2,6-dichloro-4-[6-(piperazin-1-yl)pyridin-3-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | VIF | | Name: | Flopristin | | Formula: | C28 H38 F N3 O6 | | SMILES: | O=C2N1CCCC1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(O)CC(F)Cc3nc2co3)C)C)C(C)C | | InChi: | InChI=1S/C28H38FN3O6/c1-17(2)26-19(4)9-10-24(34)30-11-5-7-18(3)13-21(33)14-20(29)15-25-31-22(16-37-25)27(35)32-12-6-8-23(32)28(36)38-26/h5,7,9-10,13,16-17,19-21,23,26,33H,6,8,11-12,14-15H2,1-4H3,(H,30,34)/b7-5+,10-9+,18-13+/t19-,20-,21-,23-,26-/m1/s1 | | Definition date: | 2014-06-19 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-30 | | Identifier: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione |
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 | | VYR | | Name: | N-[(S)-1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide | | Formula: | C28 H33 Cl N4 O7 S2 | | SMILES: | Clc5sc(c1onc(c1)CC(C(=O)N2CCC(OC)CC2)NS(=O)(=O)c4cccc(N3C(=O)COCC3)c4CC)cc5 | | InChi: | InChI=1S/C28H33ClN4O7S2/c1-3-20-22(33-13-14-39-17-27(33)34)5-4-6-25(20)42(36,37)31-21(28(35)32-11-9-19(38-2)10-12-32)15-18-16-23(40-30-18)24-7-8-26(29)41-24/h4-8,16,19,21,31H,3,9-15,17H2,1-2H3/t21-/m0/s1 | | Definition date: | 2013-06-19 | | Last modified: | 2014-09-05 | | Release date: | 2013-12-18 | | Identifier: | N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-ethyl-3-(3-oxomorpholin-4-yl)benzenesulfonamide |
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 | | N6A | | Name: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide | | Formula: | C18 H18 N4 O4 S | | SMILES: | O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C | | InChi: | InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24) | | Definition date: | 2012-05-01 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-26 | | Identifier: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide |
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 | | QMI | | Name: | 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C12 H12 Br Cl2 N3 O2 S | | SMILES: | Clc1cc(Br)cc(Cl)c1S(=O)(=O)Nc2c(n(nc2C)C)C | | InChi: | InChI=1S/C12H12BrCl2N3O2S/c1-6-11(7(2)18(3)16-6)17-21(19,20)12-9(14)4-8(13)5-10(12)15/h4-5,17H,1-3H3 | | Definition date: | 2011-09-29 | | Last modified: | 2014-09-05 | | Identifier: | 4-bromo-2,6-dichloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | 2XE | | Name: | 4-bromobenzenethiol | | Formula: | C6 H5 Br S | | SMILES: | Brc1ccc(S)cc1 | | InChi: | InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H | | Definition date: | 2014-04-04 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | 4-bromobenzenethiol |
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 | | 2XG | | Name: | 3,4-difluorobenzenethiol | | Formula: | C6 H4 F2 S | | SMILES: | Fc1ccc(S)cc1F | | InChi: | InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H | | Definition date: | 2014-04-04 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | 3,4-difluorobenzenethiol |
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