2-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-quinoline-4-carboxylate Openeye Name: 2-(4-chlorophenyl)-3-(p-tolylsulfanyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-3-[(4-methylphenyl)thio]-4-quinolinecarboxylate IUPAC Name: 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-3-(p-tolylthio)cinchoninate Formula: C23H15ClNO2S- MolecularWeight: 404.8887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C23H16ClNO2S/c1-14-6-12-17(13-7-14)28-22-20(23(26)27)18-4-2-3-5-19(18)25-21(22)15-8-10-16(24)11-9-15/h2-13H,1H3,(H,26,27)/p-1