1-(4-bromophenyl)-2-(3,6-dinitro-4-phenyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(3,6-dinitro-4-phenyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[(3,6-dinitro-4-phenyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[(3,6-dinitro-4-phenyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(3,6-dinitro-4-phenylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(3,6-dinitro-4-phenyl-2-quinolyl)thio]ethanone Formula: C23H14BrN3O5S MolecularWeight: 524.34336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H14BrN3O5S/c24-16-8-6-14(7-9-16)20(28)13-33-23-22(27(31)32)21(15-4-2-1-3-5-15)18-12-17(26(29)30)10-11-19(18)25-23/h1-12H,13H2