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

Systemtic Name: 6-[(3,4-dichlorophenyl)sulfanylmethyl]-1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-[(3,4-dichlorophenyl)sulfanylmethyl]-1-(4-hydroxy-2-methyl-phenyl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 6-[[(3,4-dichlorophenyl)thio]methyl]-1-(4-hydroxy-2-methylphenyl)-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-[(3,4-dichlorophenyl)sulfanylmethyl]-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid Traditional Name: 6-[[(3,4-dichlorophenyl)thio]methyl]-1-(4-hydroxy-2-methyl-phenyl)-4-keto-nicotinic acid Formula: C20H15Cl2NO4S MolecularWeight: 436.3084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl2NO4S/c1-11-6-13(24)2-5-18(11)23-9-15(20(26)27)19(25)7-12(23)10-28-14-3-4-16(21)17(22)8-14/h2-9,24H,10H2,1H3,(H,26,27)