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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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