1-(4-methylphenyl)sulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(p-tolylsulfanyl)isoquinoline-3-carboxylic acid CAS Name: 1-[(4-methylphenyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-(p-tolylthio)isoquinoline-3-carboxylic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

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