2-(2,4-dichlorophenyl)-3-(4-methylphenyl)sulfanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2,4-dichlorophenyl)-3-(4-methylphenyl)sulfanyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,4-dichlorophenyl)-3-(p-tolylsulfanyl)quinoline-4-carboxylic acid CAS Name: 2-(2,4-dichlorophenyl)-3-[(4-methylphenyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(2,4-dichlorophenyl)-3-(4-methylphenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-(2,4-dichlorophenyl)-3-(p-tolylthio)cinchoninic acid Formula: C23H15Cl2NO2S MolecularWeight: 440.3417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15Cl2NO2S/c1-13-6-9-15(10-7-13)29-22-20(23(27)28)17-4-2-3-5-19(17)26-21(22)16-11-8-14(24)12-18(16)25/h2-12H,1H3,(H,27,28)