1-(2-methyl-4-oxidanyl-phenyl)-6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanyl-phenyl)-6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(4-hydroxy-2-methyl-phenyl)-4-oxo-6-(p-tolylsulfanylmethyl)pyridine-3-carboxylic acid CAS Name: 1-(4-hydroxy-2-methylphenyl)-6-[[(4-methylphenyl)thio]methyl]-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(4-hydroxy-2-methylphenyl)-6-[(4-methylphenyl)sulfanylmethyl]-4-oxopyridine-3-carboxylic acid Traditional Name: 1-(4-hydroxy-2-methyl-phenyl)-4-keto-6-[(p-tolylthio)methyl]nicotinic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)C(=CN2C3=C(C=C(C=C3)O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)C(=CN2C3=C(C=C(C=C3)O)C)C(=O)O

InChI

InChI=1S/C21H19NO4S/c1-13-3-6-17(7-4-13)27-12-15-10-20(24)18(21(25)26)11-22(15)19-8-5-16(23)9-14(19)2/h3-11,23H,12H2,1-2H3,(H,25,26)