2-[(E)-C-ethanoyl-N-phenylazanyl-carbonimidoyl]sulfanylbenzoic acid

Systemtic Name: 2-[(E)-C-ethanoyl-N-phenylazanyl-carbonimidoyl]sulfanylbenzoic acid Openeye Name: 2-[(E)-C-acetyl-N-anilino-carbonimidoyl]sulfanylbenzoic acid CAS Name: 2-[[(1E)-2-oxo-1-(phenylhydrazinylidene)propyl]thio]benzoic acid IUPAC Name: 2-[(E)-C-acetyl-N-anilinocarbonimidoyl]sulfanylbenzoic acid Traditional Name: 2-[[(E)-C-acetyl-N-anilino-carbonimidoyl]thio]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=CC=C1)/SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-11(19)15(18-17-12-7-3-2-4-8-12)22-14-10-6-5-9-13(14)16(20)21/h2-10,17H,1H3,(H,20,21)/b18-15+