 | | 08T | | Name: | [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium | | Formula: | C10 H14 Be F3 N5 O10 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[Be](F)(F)F)[CH](O)[CH]3O | | InChi: | InChI=1S/C10H15N5O10P2.Be.3FH/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20 | | Definition date: | 2011-10-18 | | Last modified: | 2011-12-30 | | Identifier: | [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium |
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 | | 2LF | | Name: | (6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate | | Formula: | C10 H12 N5 O7 P | | SMILES: | O=P(O)(O)OC3c2nc1C(=O)NC(=Nc1n2C4OC3C(O)C4)N | | InChi: | InChI=1S/C10H12N5O7P/c11-10-13-7-4(9(17)14-10)12-8-6(22-23(18,19)20)5-2(16)1-3(21-5)15(7)8/h2-3,5-6,16H,1H2,(H2,18,19,20)(H3,11,13,14,17)/t2-,3+,5-,6+/m0/s1 | | Definition date: | 2011-07-21 | | Last modified: | 2011-12-30 | | Identifier: | (6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate |
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 | | J1A | | Name: | 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | | Formula: | C24 H32 N12 O4 S | | SMILES: | O=C2NC(=Nc1ncc(nc12)CNCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)N | | InChi: | InChI=1S/C24H32N12O4S/c25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20/h8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39)/t14-,17-,18-,23-/m1/s1 | | Definition date: | 2011-11-11 | | Last modified: | 2011-12-30 | | Identifier: | 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine |
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 | | J1B | | Name: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | | Formula: | C26 H38 N12 O4 S | | SMILES: | O=C2NC(=NC=1NC(C(=NC=12)CNCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)(C)C)N | | InChi: | InChI=1S/C26H38N12O4S/c1-26(2)15(33-17-21(36-26)34-25(28)35-23(17)41)9-29-5-8-37-6-3-13(4-7-37)43-10-14-18(39)19(40)24(42-14)38-12-32-16-20(27)30-11-31-22(16)38/h11-14,18-19,24,29,39-40H,3-10H2,1-2H3,(H2,27,30,31)(H4,28,34,35,36,41)/t14-,18-,19-,24-/m1/s1 | | Definition date: | 2011-11-11 | | Last modified: | 2011-12-30 | | Identifier: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine |
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 | | J1C | | Name: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | | Formula: | C26 H36 N12 O5 S | | SMILES: | O=C2NC(=NC=1NC(C(=NC=12)C(=O)NCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)(C)C)N | | InChi: | InChI=1S/C26H36N12O5S/c1-26(2)18(33-15-20(36-26)34-25(28)35-22(15)41)23(42)29-5-8-37-6-3-12(4-7-37)44-9-13-16(39)17(40)24(43-13)38-11-32-14-19(27)30-10-31-21(14)38/h10-13,16-17,24,39-40H,3-9H2,1-2H3,(H,29,42)(H2,27,30,31)(H4,28,34,35,36,41)/t13-,16-,17-,24-/m1/s1 | | Definition date: | 2011-11-11 | | Last modified: | 2011-12-30 | | Identifier: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine |
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 | | Y5H | | Name: | 3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM | | Formula: | C22 H28 Cl N4 O3 S | | SMILES: | C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4coc(n4)c5sc(Cl)cc5 | | InChi: | InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)17-14-6-4-9-25(14)19(18(17)22(26)29)13-12-30-20(24-13)15-7-8-16(23)31-15/h7-8,12,14,17-19H,4-6,9-11H2,1-3H3/q+1/t14-,17-,18-,19-/m0/s1 | | Definition date: | 2011-01-13 | | Last modified: | 2011-12-23 | | Identifier: | 3-[(3aS,4R,5S,8aS,8bR)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium |
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 | | VHI | | Name: | 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid | | Formula: | C18 H22 N2 O5 S | | SMILES: | O=C(O)CCCCC2SCC3N(C(=O)OCc1ccccc1)C(=O)NC23 | | InChi: | InChI=1S/C18H22N2O5S/c21-15(22)9-5-4-8-14-16-13(11-26-14)20(17(23)19-16)18(24)25-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,19,23)(H,21,22)/t13-,14-,16-/m0/s1 | | Definition date: | 2011-09-09 | | Last modified: | 2011-12-23 | | Identifier: | 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid |
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 | | XWG | | Name: | (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE | | Formula: | C25 H32 Cl N4 O4 S | | SMILES: | OCC[N+]1(CCCC1)CCCN2C(=O)[CH]3[CH]4CCCN4[CH]([CH]3C2=O)c5cc(on5)c6sc(Cl)cc6 | | InChi: | InChI=1S/C25H32ClN4O4S/c26-20-7-6-19(35-20)18-15-16(27-34-18)23-22-21(17-5-3-8-28(17)23)24(32)29(25(22)33)9-4-12-30(13-14-31)10-1-2-11-30/h6-7,15,17,21-23,31H,1-5,8-14H2/q+1/t17-,21-,22-,23-/m0/s1 | | Definition date: | 2011-01-13 | | Last modified: | 2011-12-23 | | Identifier: | (3aS,4R,5S,8aS,8bR)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione |
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 | | KOP | | Name: | methyl dihydrogen phosphate | | Formula: | C H5 O4 P | | SMILES: | O=P(OC)(O)O | | InChi: | InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4) | | Definition date: | 2011-01-06 | | Last modified: | 2011-12-23 | | Identifier: | methyl dihydrogen phosphate |
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 | | LD1 | | Name: | 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one | | Formula: | C18 H13 N5 O2 S | | SMILES: | O=C1Nc5c(OC1)ccc(C2=Nn4cnnc4SC2c3ccccc3)c5 | | InChi: | InChI=1S/C18H13N5O2S/c24-15-9-25-14-7-6-12(8-13(14)20-15)16-17(11-4-2-1-3-5-11)26-18-21-19-10-23(18)22-16/h1-8,10,17H,9H2,(H,20,24)/t17-/m0/s1 | | Definition date: | 2011-09-27 | | Last modified: | 2011-12-23 | | Identifier: | 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one |
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 | | NX1 | | Name: | 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid | | Formula: | C12 H8 Br Cl O2 S2 | | SMILES: | O=C(O)c2sccc2SCc1cc(Br)c(Cl)cc1 | | InChi: | InChI=1S/C12H8BrClO2S2/c13-8-5-7(1-2-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16) | | Definition date: | 2011-01-21 | | Last modified: | 2011-12-23 | | Identifier: | 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid |
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 | | NX3 | | Name: | N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide | | Formula: | C18 H14 Cl2 N2 O3 S3 | | SMILES: | O=S(=O)(c1cc(N)ccc1)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2 | | InChi: | InChI=1S/C18H14Cl2N2O3S3/c19-14-5-4-11(8-15(14)20)10-27-16-6-7-26-17(16)18(23)22-28(24,25)13-3-1-2-12(21)9-13/h1-9H,10,21H2,(H,22,23) | | Definition date: | 2011-01-24 | | Last modified: | 2011-12-23 | | Identifier: | N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide |
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 | | NX5 | | Name: | 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid | | Formula: | C14 H10 Cl2 O2 S | | SMILES: | Clc1ccc(cc1Cl)CSc2ccccc2C(=O)O | | InChi: | InChI=1S/C14H10Cl2O2S/c15-11-6-5-9(7-12(11)16)8-19-13-4-2-1-3-10(13)14(17)18/h1-7H,8H2,(H,17,18) | | Definition date: | 2011-01-24 | | Last modified: | 2011-12-23 | | Identifier: | 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid |
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 | | NXY | | Name: | 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid | | Formula: | C12 H8 Cl2 O2 S2 | | SMILES: | O=C(O)c2sccc2SCc1cc(Cl)c(Cl)cc1 | | InChi: | InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16) | | Definition date: | 2011-01-20 | | Last modified: | 2011-12-23 | | Identifier: | 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid |
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 | | CA0 | | Name: | 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine | | Formula: | C11 H15 N6 O8 P | | SMILES: | O=P(OC(=O)N)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2011-09-20 | | Last modified: | 2011-12-23 | | Identifier: | 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine |
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 | | T26 | | Name: | (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID | | Formula: | C23 H21 N3 O6 S2 | | SMILES: | OC(=O)CC[CH](NC(=O)c1cccc(NCc2ccc(cc2)C=C3SC(=S)NC3=O)c1)C(O)=O | | InChi: | InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-10-/t17-/m1/s1 | | Definition date: | 2010-12-09 | | Last modified: | 2011-12-23 | | Identifier: | (2R)-2-[[3-[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid |
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 | | AQN | | Name: | 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid | | Formula: | C14 H8 O5 S | | SMILES: | O=S(=O)(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3 | | InChi: | InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19) | | Definition date: | 2011-10-20 | | Last modified: | 2011-12-23 | | Identifier: | 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
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 | | FJD | | Name: | 3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM | | Formula: | C22 H28 Cl N4 O3 S | | SMILES: | C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4oc(cn4)c5sc(Cl)cc5 | | InChi: | InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)17-13-6-4-9-25(13)19(18(17)22(26)29)20-24-12-14(30-20)15-7-8-16(23)31-15/h7-8,12-13,17-19H,4-6,9-11H2,1-3H3/q+1/t13-,17-,18-,19+/m0/s1 | | Definition date: | 2011-01-13 | | Last modified: | 2011-12-23 | | Identifier: | 3-[(3aS,4R,5S,8aS,8bR)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium |
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 | | 2L8 | | Name: | [(2R,3S,5R)-3-[(1-{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate | | Formula: | C23 H30 N7 O12 P | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)Cn3nnc(c3)COC5C(OC(N4C(=O)NC(=O)C(=C4)C)C5)COP(=O)(O)O)C | | InChi: | InChI=1S/C23H30N7O12P/c1-11-5-29(22(34)24-20(11)32)18-3-14(31)16(41-18)8-28-7-13(26-27-28)9-39-15-4-19(42-17(15)10-40-43(36,37)38)30-6-12(2)21(33)25-23(30)35/h5-7,14-19,31H,3-4,8-10H2,1-2H3,(H,24,32,34)(H,25,33,35)(H2,36,37,38)/t14-,15-,16+,17+,18+,19+/m0/s1 | | Definition date: | 2011-01-26 | | Last modified: | 2011-12-23 | | Identifier: | [(2R,3S,5R)-3-[(1-{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
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 | | BEZ | | Name: | BENZOIC ACID | | Formula: | C7 H6 O2 | | SMILES: | O=C(O)c1ccccc1 | | InChi: | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2011-12-20 | | Identifier: | benzoic acid |
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 | | LUN | | Name: | (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone | | Formula: | C25 H27 F N4 O | | SMILES: | Fc1cc2cc(nc2cc1)C(=O)N4c3c(cccc3)C6(C4)CN(C5CCCNC5)CC6 | | InChi: | InChI=1S/C25H27FN4O/c26-18-7-8-21-17(12-18)13-22(28-21)24(31)30-16-25(20-5-1-2-6-23(20)30)9-11-29(15-25)19-4-3-10-27-14-19/h1-2,5-8,12-13,19,27-28H,3-4,9-11,14-16H2/t19-,25-/m1/s1 | | Definition date: | 2011-02-25 | | Last modified: | 2011-12-16 | | Identifier: | (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone |
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 | | 3YH | | Name: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide | | Formula: | C23 H19 N5 O4 S | | SMILES: | O=S(=O)(N)c1ccccc1c2ccc(cc2)NC(=O)c4conc4c3cc(ccc3)C(=[N@H])N | | InChi: | InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31) | | Definition date: | 2010-12-16 | | Last modified: | 2011-12-16 | | Identifier: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide |
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 | | D61 | | Name: | (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid | | Formula: | C36 H41 N O7 | | SMILES: | O=C(O)C(OCC(=O)O)C(OCCCCCc2ccc1c(cccc1)c2)C(=O)NCCCCCc4cc3ccccc3cc4 | | InChi: | InChI=1S/C36H41NO7/c38-32(39)25-44-34(36(41)42)33(43-22-10-2-4-12-27-18-20-29-14-6-8-16-31(29)24-27)35(40)37-21-9-1-3-11-26-17-19-28-13-5-7-15-30(28)23-26/h5-8,13-20,23-24,33-34H,1-4,9-12,21-22,25H2,(H,37,40)(H,38,39)(H,41,42)/t33-,34-/m1/s1 | | Definition date: | 2011-01-12 | | Last modified: | 2011-12-16 | | Identifier: | (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid |
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 | | FO5 | | Name: | 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile | | Formula: | C14 H14 N4 O2 S | | SMILES: | N#CCC(=O)N3CCC(c1onc(n1)c2sccc2)CC3 | | InChi: | InChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2 | | Definition date: | 2011-09-13 | | Last modified: | 2011-12-16 | | Identifier: | 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile |
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 | | EVF | | Name: | 1,3-benzothiazole-2-sulfonamide | | Formula: | C7 H6 N2 O2 S2 | | SMILES: | O=S(=O)(c1nc2ccccc2s1)N | | InChi: | InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11) | | Definition date: | 2011-06-03 | | Last modified: | 2011-12-16 | | Identifier: | 1,3-benzothiazole-2-sulfonamide |
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