2-(4-methylphenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-methylphenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(p-tolylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-(p-tolylthio)nicotinic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)