2-[(1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzoic acid

Systemtic Name: 2-[(1-carbamothioyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzoic acid Openeye Name: 2-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid CAS Name: 2-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid IUPAC Name: 2-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid Traditional Name: 2-[(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-yl)azo]benzoic acid Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=S)N

InChI

InChI=1S/C12H11N5O3S/c1-6-9(10(18)17(16-6)12(13)21)15-14-8-5-3-2-4-7(8)11(19)20/h2-5,9H,1H3,(H2,13,21)(H,19,20)