AC1OAWOQ

4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid

Also Known As: KS-00004BSL|AG-690/12767276|4-[[2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzoic acid|4-{(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2-hydroxybenzoic acid|4-({[1-(aminothioxomethyl)-3-(4-nitrophenyl)-5-oxo(1,2-diazolin-4-ylidene)]aza methyl}amino)-2-hydroxybenzoic acid|4-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-2-hydroxybenzoic acid|4-[2-(1-(aminocarbothioyl)-3-{4-nitrophenyl}-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]-2-hydroxybenzoic acid|4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazinyl]-2-hydroxy-benzoic Acid|4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-2-hydroxybenzoic acid|4-{2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2-hydroxybenzoic acid|4-{2-[1-(Aminocarbothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2-hydroxybenzoic acid|benzoic acid, 4-[(2E)-2-[1-(aminothioxomethyl)-1,5-dihydro-3-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2-hydroxy-

Molecular Formula	C17H12N6O6S
Molecular Weight	428.0539 g/mol
LogP	2.6625
Topological Polar Surface Area	189.2 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	428.0539
Monoisotopic Mass	428.0539
Heavy Atoms	30
Complexity	1260.7333

Chemical Identifiers

CAS Number	314760-24-2
SMILES	C1=CC(=CC=C1C2=C(C(=O)N(N2)C(=S)N)N=NC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-]