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

Systemtic Name: 3-(4-bromophenyl)sulfanyl-2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)sulfanyl-2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid CAS Name: 3-[(4-bromophenyl)thio]-2-(2,4-dichlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(4-bromophenyl)sulfanyl-2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid Traditional Name: 3-[(4-bromophenyl)thio]-2-(2,4-dichlorophenyl)cinchoninic acid Formula: C22H12BrCl2NO2S MolecularWeight: 505.21118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)SC4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)SC4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H12BrCl2NO2S/c23-12-5-8-14(9-6-12)29-21-19(22(27)28)16-3-1-2-4-18(16)26-20(21)15-10-7-13(24)11-17(15)25/h1-11H,(H,27,28)