2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxylic acid Openeye Name: 2-(4-isopropylphenyl)sulfanylquinoline-4-carboxylic acid CAS Name: 2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-(p-cumenylthio)cinchoninic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2S/c1-12(2)13-7-9-14(10-8-13)23-18-11-16(19(21)22)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3,(H,21,22)