3-methyl-6-methylsulfanyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-methyl-6-methylsulfanyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-methyl-6-methylsulfanyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid CAS Name: 3-methyl-6-(methylthio)-2-(4-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-methyl-6-methylsulfanyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-methyl-6-(methylthio)-2-(4-phenylphenyl)cinchoninic acid Formula: C24H19NO2S MolecularWeight: 385.47816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)SC)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)SC)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19NO2S/c1-15-22(24(26)27)20-14-19(28-2)12-13-21(20)25-23(15)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,26,27)