1-(4-nitrophenyl)-2-quinolin-2-ylsulfanyl-ethanone hydrobromide

Systemtic Name: 1-(4-nitrophenyl)-2-quinolin-2-ylsulfanyl-ethanone hydrobromide Openeye Name: 1-(4-nitrophenyl)-2-(2-quinolylsulfanyl)ethanone hydrobromide CAS Name: 1-(4-nitrophenyl)-2-(2-quinolinylthio)ethanone hydrobromide IUPAC Name: 1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone hydrobromide Traditional Name: 1-(4-nitrophenyl)-2-(2-quinolylthio)ethanone hydrobromide Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C17H12N2O3S.BrH/c20-16(13-5-8-14(9-6-13)19(21)22)11-23-17-10-7-12-3-1-2-4-15(12)18-17;/h1-10H,11H2;1H