3-(4-bromophenyl)sulfanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-(4-bromophenyl)sulfanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-(4-bromophenyl)sulfanyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-[(4-bromophenyl)thio]-2-phenyl-4-quinolinecarboxylate IUPAC Name: 3-(4-bromophenyl)sulfanyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-[(4-bromophenyl)thio]-2-phenyl-cinchoninate Formula: C22H13BrNO2S- MolecularWeight: 435.31312

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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)/p-1