2-(4-methylphenyl)sulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylphenyl)sulfanylquinoline-4-carboxylic acid Openeye Name: 2-(p-tolylsulfanyl)quinoline-4-carboxylic acid CAS Name: 2-[(4-methylphenyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylphenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-(p-tolylthio)cinchoninic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)21-16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)