3-cyano-2-oxidanylidene-1-(phenylcarbamothioyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid

Systemtic Name: 3-cyano-2-oxidanylidene-1-(phenylcarbamothioyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid Openeye Name: 3-cyano-2-oxo-1-(phenylcarbamothioyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid CAS Name: 1-[anilino(sulfanylidene)methyl]-3-cyano-2-oxo-6-(4-phenylphenyl)-4-pyridinecarboxylic acid IUPAC Name: 3-cyano-2-oxo-1-(phenylcarbamothioyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid Traditional Name: 3-cyano-2-keto-6-(4-phenylphenyl)-1-(phenylthiocarbamoyl)isonicotinic acid Formula: C26H17N3O3S MolecularWeight: 451.49648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=O)N3C(=S)NC4=CC=CC=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=O)N3C(=S)NC4=CC=CC=C4)C#N)C(=O)O

InChI

InChI=1S/C26H17N3O3S/c27-16-22-21(25(31)32)15-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)29(24(22)30)26(33)28-20-9-5-2-6-10-20/h1-15H,(H,28,33)(H,31,32)