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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=CC=N2)C(=O)O

InChI

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