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

Systemtic Name: 3-[(2E)-2-(1-carbamothioyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-(1-carbamothioyl-5-oxo-3-phenyl-pyrazol-4-ylidene)hydrazino]benzoic acid CAS Name: 3-[(2E)-2-(1-carbamothioyl-5-oxo-3-phenyl-4-pyrazolylidene)hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-(1-carbamothioyl-5-oxo-3-phenylpyrazol-4-ylidene)hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-(5-keto-3-phenyl-1-thiocarbamoyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=CC(=C3)C(=O)O)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=N/NC3=CC=CC(=C3)C(=O)O)C(=S)N

InChI

InChI=1S/C17H13N5O3S/c18-17(26)22-15(23)14(13(21-22)10-5-2-1-3-6-10)20-19-12-8-4-7-11(9-12)16(24)25/h1-9,19H,(H2,18,26)(H,24,25)/b20-14+