2-(6-bromanyl-2,4-diphenyl-quinolin-3-yl)sulfanylethanoate

Systemtic Name: 2-(6-bromanyl-2,4-diphenyl-quinolin-3-yl)sulfanylethanoate Openeye Name: 2-[(6-bromo-2,4-diphenyl-3-quinolyl)sulfanyl]acetate CAS Name: 2-[(6-bromo-2,4-diphenyl-3-quinolinyl)thio]acetate IUPAC Name: 2-(6-bromo-2,4-diphenylquinolin-3-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-2,4-diphenyl-3-quinolyl)thio]acetate Formula: C23H15BrNO2S- MolecularWeight: 449.3397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2SCC(=O)[O-])C4=CC=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2SCC(=O)[O-])C4=CC=CC=C4)Br

InChI

InChI=1S/C23H16BrNO2S/c24-17-11-12-19-18(13-17)21(15-7-3-1-4-8-15)23(28-14-20(26)27)22(25-19)16-9-5-2-6-10-16/h1-13H,14H2,(H,26,27)/p-1