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

Systemtic Name: 1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-(pyridin-2-ylsulfanylmethyl)pyridine-3-carboxylic acid Openeye Name: 1-(4-hydroxy-2-methyl-phenyl)-4-oxo-6-(2-pyridylsulfanylmethyl)pyridine-3-carboxylic acid CAS Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-[(2-pyridinylthio)methyl]-3-pyridinecarboxylic acid IUPAC Name: 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-(pyridin-2-ylsulfanylmethyl)pyridine-3-carboxylic acid Traditional Name: 1-(4-hydroxy-2-methyl-phenyl)-4-keto-6-[(2-pyridylthio)methyl]nicotinic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2CSC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-12-8-14(22)5-6-16(12)21-10-15(19(24)25)17(23)9-13(21)11-26-18-4-2-3-7-20-18/h2-10,22H,11H2,1H3,(H,24,25)