6-(4-methylphenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-(4-methylphenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 6-(p-tolylsulfanyl)pyridine-3-carboxylic acid CAS Name: 6-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-(4-methylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 6-(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=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=C(C=C2)C(=O)O

InChI

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