3-cyano-2-(2-cyanoethylsulfanyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid

Systemtic Name: 3-cyano-2-(2-cyanoethylsulfanyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid Openeye Name: 3-cyano-2-(2-cyanoethylsulfanyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid CAS Name: 3-cyano-2-(2-cyanoethylthio)-6-(4-phenylphenyl)-4-pyridinecarboxylic acid IUPAC Name: 3-cyano-2-(2-cyanoethylsulfanyl)-6-(4-phenylphenyl)pyridine-4-carboxylic acid Traditional Name: 3-cyano-2-(2-cyanoethylthio)-6-(4-phenylphenyl)isonicotinic acid Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=C(C(=C3)C(=O)O)C#N)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=C(C(=C3)C(=O)O)C#N)SCCC#N

InChI

InChI=1S/C22H15N3O2S/c23-11-4-12-28-21-19(14-24)18(22(26)27)13-20(25-21)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,13H,4,12H2,(H,26,27)