3-(4-bromophenyl)sulfanyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)sulfanyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)sulfanyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(4-bromophenyl)thio]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(4-bromophenyl)sulfanyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-bromophenyl)thio]-2-phenyl-cinchoninic acid Formula: C22H14BrNO2S MolecularWeight: 436.32106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2SC4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2SC4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H14BrNO2S/c23-15-10-12-16(13-11-15)27-21-19(22(25)26)17-8-4-5-9-18(17)24-20(21)14-6-2-1-3-7-14/h1-13H,(H,25,26)