1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-(phenylsulfanylmethyl)pyridine-3-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-(phenylsulfanylmethyl)pyridine-3-carboxylic acid Openeye Name: 1-(4-hydroxy-2-methyl-phenyl)-4-oxo-6-(phenylsulfanylmethyl)pyridine-3-carboxylic acid CAS Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-[(phenylthio)methyl]-3-pyridinecarboxylic acid IUPAC Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-(phenylsulfanylmethyl)pyridine-3-carboxylic acid Traditional Name: 1-(4-hydroxy-2-methyl-phenyl)-4-keto-6-[(phenylthio)methyl]nicotinic acid Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H17NO4S/c1-13-9-15(22)7-8-18(13)21-11-17(20(24)25)19(23)10-14(21)12-26-16-5-3-2-4-6-16/h2-11,22H,12H2,1H3,(H,24,25)