2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-6-methyl-nicotinic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C)C(=O)O)C

InChI

InChI=1S/C17H17NO3S/c1-10-4-6-13(11(2)8-10)15(19)9-22-16-14(17(20)21)7-5-12(3)18-16/h4-8H,9H2,1-3H3,(H,20,21)