CAS RN: 111042-01-4
CAS Name: 2-methyl-5-(methylthio)-4-[(E)-(5-nitro-2-furanyl)methylideneamino]-1,2,4-triazole-3-thione
OPENEYE Name: 2-methyl-5-methylsulfanyl-4-[(E)-(5-nitro-2-furyl)methyleneamino]-1,2,4-triazole-3-thione
IUPAC Name: 2-methyl-5-methylsulfanyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 2-methyl-5-methylsulfanyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C9H9N5O3S2
MOLECULAR WEIGHT: 299.32946
SMILES: CN1C(=S)N(C(=N1)SC)/N=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 111042-00-3
CAS Name: N-(1-indazolyl)-1-(5-nitro-2-furanyl)methanimine
OPENEYE Name: N-indazol-1-yl-1-(5-nitro-2-furyl)methanimine
IUPAC Name: N-indazol-1-yl-1-(5-nitrofuran-2-yl)methanimine
SYSTEMATIC NAME: N-indazol-1-yl-1-(5-nitrofuran-2-yl)methanimine
MOLECULAR FORMULA: C12H8N4O3
MOLECULAR WEIGHT: 256.21692
SMILES: C1=CC=C2C(=C1)C=NN2/N=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 87002-37-7
CAS Name: 2-[(E)-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-(4-iodanyl-1H-imidazol-5-yl)ethyl]acetamide
OPENEYE Name: 2-[(E)-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-(4-iodanyl-1H-imidazol-5-yl)ethyl]acetamide
IUPAC Name: 2-[(E)-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-(4-iodanyl-1H-imidazol-5-yl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(4-iodanyl-1H-imidazol-5-yl)ethyl]-2-[(E)-[(8S,9S,10R,11S,13R,14S,17S)-13-methanoyl-10-methyl-11-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-ethanamide
MOLECULAR FORMULA: C28H37IN4O6
MOLECULAR WEIGHT: 650.521204
SMILES: C[C@]12CC/C(=N\OCC(=O)NCCC3=C(N=CN3)[125I])/C=C1CC[C@@H]4[C@@H]2[C@H](C[C@]5([C@H]4CC[C@@H]5C(=O)CO)C=O)O
Structure:
CAS RN: 86659-90-7
CAS Name: (Z)-7-[(1R,2R,3R,5E)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methoxyiminocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5E)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methoxyimino-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5E)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methoxyiminocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5E)-5-methoxyimino-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H35NO5
MOLECULAR WEIGHT: 381.5063
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C/C(=N\OC)/[C@@H]1C/C=C\CCCC(=O)O)O)O
Structure:
CAS RN: 86486-16-0
CAS Name: N-[(Z)-[2-phenyl-1-(2-pyridinyl)ethylidene]amino]-2-quinolinamine
OPENEYE Name: N-[(Z)-[2-phenyl-1-(2-pyridyl)ethylidene]amino]quinolin-2-amine
IUPAC Name: N-[(Z)-(2-phenyl-1-pyridin-2-ylethylidene)amino]quinolin-2-amine
SYSTEMATIC NAME: N-[(Z)-(2-phenyl-1-pyridin-2-yl-ethylidene)amino]quinolin-2-amine
MOLECULAR FORMULA: C22H18N4
MOLECULAR WEIGHT: 338.40512
SMILES: C1=CC=C(C=C1)C/C(=N/NC2=NC3=CC=CC=C3C=C2)/C4=CC=CC=N4
Structure:
CAS RN: 107321-37-9
CAS Name: (6E)-4-amino-3-[4-[[[4-[2-(2,6-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]-oxomethyl]amino]-2-sulfophenyl]azo-5-oxo-6-(phenylhydrazinylidene)-1-naphthalenesulfonic acid
OPENEYE Name: (6E)-4-amino-3-[4-[[4-[2-(2,6-dihydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzoyl]amino]-2-sulfo-phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-1-sulfonic acid
IUPAC Name: (6E)-4-amino-3-[[4-[[4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoyl]amino]-2-sulfophenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-1-sulfonic acid
SYSTEMATIC NAME: (6E)-4-azanyl-3-[[4-[[4-[2-[2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinyl]phenyl]carbonylamino]-2-sulfo-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C35H26N8O11S2
MOLECULAR WEIGHT: 798.75794
SMILES: C1=CC=C(C=C1)N/N=C/2\C=CC3=C(C=C(C(=C3C2=O)N)N=NC4=C(C=C(C=C4)NC(=O)C5=CC=C(C=C5)NN=C6C(=CC(=O)C=C6O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 73008-98-7
CAS Name: N-(diaminomethylideneamino)-4-[[[4-[(1E)-1-(diaminomethylidenehydrazinylidene)ethyl]anilino]-oxomethyl]amino]benzamide dihydrochloride
OPENEYE Name: N-guanidino-4-[[4-[(E)-N-guanidino-C-methyl-carbonimidoyl]phenyl]carbamoylamino]benzamide dihydrochloride
IUPAC Name: N-(diaminomethylideneamino)-4-[[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]carbamoylamino]benzamide dihydrochloride
SYSTEMATIC NAME: N-[bis(azanyl)methylideneamino]-4-[[4-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]carbamoylamino]benzamide dihydrochloride
MOLECULAR FORMULA: C18H24Cl2N10O2
MOLECULAR WEIGHT: 483.35496
SMILES: C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NN=C(N)N.Cl.Cl
Structure:
CAS RN: 69321-19-3
CAS Name: (4E)-4-[(4-aminophenyl)hydrazinylidene]-2-methyl-1-cyclohexa-2,5-dienone
OPENEYE Name: (4E)-4-[(4-aminophenyl)hydrazono]-2-methyl-cyclohexa-2,5-dien-1-one
IUPAC Name: (4E)-4-[(4-aminophenyl)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4E)-4-[(4-aminophenyl)hydrazinylidene]-2-methyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: CC1=C/C(=N/NC2=CC=C(C=C2)N)/C=CC1=O
Structure:
CAS RN: 76584-58-2
CAS Name: 2-[(E)-phenacylideneamino]guanidine
OPENEYE Name: 2-[(E)-phenacylideneamino]guanidine
IUPAC Name: 2-[(E)-phenacylideneamino]guanidine
SYSTEMATIC NAME: 2-[(E)-phenacylideneamino]guanidine
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: C1=CC=C(C=C1)C(=O)/C=N/N=C(N)N
Structure:
CAS RN: 76430-81-4
CAS Name: acetic acid; 2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine
OPENEYE Name: acetic acid; 2-[(E)-[(2E)-2-(diaminomethylenehydrazono)ethylidene]amino]guanidine
IUPAC Name: acetic acid; 2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine
SYSTEMATIC NAME: 2-[(E)-[(2E)-2-[bis(azanyl)methylidenehydrazinylidene]ethylidene]amino]guanidine; ethanoic acid
MOLECULAR FORMULA: C8H18N8O4
MOLECULAR WEIGHT: 290.27972
SMILES: CC(=O)O.CC(=O)O.C(=N/N=C(N)N)\C=N\N=C(N)N
Structure:
CAS RN: 22234-07-7
CAS Name: 2-[(Z)-1-[[(10R,13S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]ethylideneamino]oxyacetic acid
OPENEYE Name: 2-[(Z)-1-[[(10R,13S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]ethylideneamino]oxyacetic acid
IUPAC Name: 2-[(Z)-1-[[(10R,13S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]ethylideneamino]oxyacetic acid
SYSTEMATIC NAME: 2-[(Z)-1-[[(10R,13S,17S)-17-ethynyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]ethylideneamino]oxyethanoic acid
MOLECULAR FORMULA: C24H31NO5
MOLECULAR WEIGHT: 413.50664
SMILES: C/C(=N/OCC(=O)O)/O[C@@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@H]34)C)C#C
Structure:
CAS RN: 5426-04-0
CAS Name: N'-hydroxyethanimidamide hydrochloride
OPENEYE Name: N'-hydroxyacetamidine hydrochloride
IUPAC Name: N'-hydroxyethanimidamide hydrochloride
SYSTEMATIC NAME: N'-oxidanylethanimidamide hydrochloride
MOLECULAR FORMULA: C2H7ClN2O
MOLECULAR WEIGHT: 110.54278
SMILES: C/C(=N\O)/N.Cl
Structure:
CAS RN: 3627-06-3
CAS Name: (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]-3-chlorophenyl]-2-chlorophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
OPENEYE Name: (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfo-2-naphthylidene)hydrazino]-3-chloro-phenyl]-2-chloro-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid
IUPAC Name: (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-3-chlorophenyl]-2-chlorophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3Z)-5-azanyl-3-[[4-[4-[(2Z)-2-(8-azanyl-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]-3-chloranyl-phenyl]-2-chloranyl-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C32H22Cl2N6O14S4
MOLECULAR WEIGHT: 913.71488
SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N/N=C\3/C(=O)C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)Cl)Cl)N/N=C\5/C(=O)C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N
Structure:
CAS RN: 2429-70-1
CAS Name: disodium 4-amino-3-[4-[4-[(2E)-2-(1-oxo-4-sulfonato-2-naphthalenylidene)hydrazinyl]phenyl]phenyl]azo-1-naphthalenesulfonate
OPENEYE Name: disodium 4-amino-3-[4-[4-[(2E)-2-(1-oxo-4-sulfonato-2-naphthylidene)hydrazino]phenyl]phenyl]azo-naphthalene-1-sulfonate
IUPAC Name: disodium 4-amino-3-[[4-[4-[(2E)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: disodium 4-azanyl-3-[[4-[4-[(2E)-2-(1-oxidanylidene-4-sulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C32H21N5Na2O7S2
MOLECULAR WEIGHT: 697.64798
SMILES: C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N/N=C/5\C=C(C6=CC=CC=C6C5=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 57644-85-6
CAS Name: N-methyl-N-nitrosocarbamic acid [(E)-[2-methyl-2-(methylthio)propylidene]amino] ester
OPENEYE Name: [(E)-(2-methyl-2-methylsulfanyl-propylidene)amino] N-methyl-N-nitroso-carbamate
IUPAC Name: [(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methyl-N-nitrosocarbamate
SYSTEMATIC NAME: [(E)-(2-methyl-2-methylsulfanyl-propylidene)amino] N-methyl-N-nitroso-carbamate
MOLECULAR FORMULA: C7H13N3O3S
MOLECULAR WEIGHT: 219.26142
SMILES: CC(C)(/C=N/OC(=O)N(C)N=O)SC
Structure:
CAS RN: 27953-80-6
CAS Name: (1E)-N-hydroxyhexanimidic acid [(10R,13S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(10R,13S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] (1E)-N-hydroxyhexanimidate
IUPAC Name: [(10R,13S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] (1E)-N-hydroxyhexanimidate
SYSTEMATIC NAME: [(10R,13S,17S)-17-ethynyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] (1E)-N-oxidanylhexanimidate
MOLECULAR FORMULA: C26H37NO3
MOLECULAR WEIGHT: 411.57688
SMILES: CCCCC/C(=N\O)/O[C@@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@H]34)C)C#C
Structure:
CAS RN: 65138-64-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2O6
MOLECULAR WEIGHT: 390.43024
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3/C(=N/OCC(=O)O)/CC4.O
Structure:
CAS RN: 83387-07-9
CAS Name: (E,1E)-3-[4-(dimethylamino)phenyl]-2-propenal oxime
OPENEYE Name: (E,1E)-3-[4-(dimethylamino)phenyl]prop-2-enal oxime
IUPAC Name: (NE)-N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]hydroxylamine
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C=N/O
Structure:
CAS RN: 82597-51-1
CAS Name: (Z)-7-[(1R,2R,3R,4R)-3-[(E)-[[anilino(oxo)methyl]hydrazinylidene]methyl]-2-bicyclo[2.2.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazono)methyl]norbornan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,4R)-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H29N3O3
MOLECULAR WEIGHT: 383.48396
SMILES: C1C[C@@H]2C[C@@H]1[C@H]([C@@H]2/C=N/NC(=O)NC3=CC=CC=C3)C/C=C\CCCC(=O)O
Structure:
CAS RN: 82531-23-5
CAS Name: [(E)-[(5E)-5-(carbamothioylhydrazinylidene)-3,3-dimethylcyclohexylidene]amino]thiourea hydrochloride
OPENEYE Name: [(E)-[(5E)-5-(carbamothioylhydrazono)-3,3-dimethyl-cyclohexylidene]amino]thiourea hydrochloride
IUPAC Name: [(E)-[(5E)-5-(carbamothioylhydrazinylidene)-3,3-dimethylcyclohexylidene]amino]thiourea hydrochloride
SYSTEMATIC NAME: 1-[(E)-[(5E)-5-(carbamothioylhydrazinylidene)-3,3-dimethyl-cyclohexylidene]amino]thiourea hydrochloride
MOLECULAR FORMULA: C10H19ClN6S2
MOLECULAR WEIGHT: 322.88106
SMILES: CC1(C/C(=N\NC(=S)N)/C/C(=N/NC(=S)N)/C1)C.Cl
Structure:
CAS RN: 82502-19-0
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H16N8O7S3
MOLECULAR WEIGHT: 540.55334
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)O
Structure:
CAS RN: 82101-17-5
CAS Name: disodium (3E)-3-[[4-[(carboxylatomethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3E)-3-[[4-(carboxylatomethylcarbamoyl)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3E)-3-[[4-(carboxylatomethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3E)-3-[[4-[(2-oxidanidyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C16H11N3Na2O6
MOLECULAR WEIGHT: 387.25458
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)[O-])N/N=C/2\C=CC(=O)C(=C2)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 81608-06-2
CAS Name: 3-[[(4E)-4-[(5-bromo-2-pyridinyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]-1-propanesulfonic acid
OPENEYE Name: 3-[[(4E)-4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid
IUPAC Name: 3-[[(4E)-4-[(5-bromopyridin-2-yl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]-propylamino]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[[(4E)-4-[(5-bromanylpyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid
MOLECULAR FORMULA: C17H21BrN4O4S
MOLECULAR WEIGHT: 457.34204
SMILES: CCCN(CCCS(=O)(=O)O)C1=CC(=O)/C(=N/NC2=NC=C(C=C2)Br)/C=C1
Structure:
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