2-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 2-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoic acid Openeye Name: 2-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzoic acid CAS Name: 2-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzoic acid IUPAC Name: 2-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid Traditional Name: 2-[N'-[5-keto-3-(4-nitrophenyl)-1-thiocarbamoyl-2-pyrazolin-4-ylidene]hydrazino]benzoic acid Formula: C17H12N6O5S MolecularWeight: 412.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O5S/c18-17(29)22-15(24)14(20-19-12-4-2-1-3-11(12)16(25)26)13(21-22)9-5-7-10(8-6-9)23(27)28/h1-8,19H,(H2,18,29)(H,25,26)