2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-nitrophenyl)ethanone bromide Formula: C15H11BrN3O3S- MolecularWeight: 393.23514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O3S.BrH/c19-14(10-5-7-11(8-6-10)18(20)21)9-22-15-16-12-3-1-2-4-13(12)17-15;/h1-8H,9H2,(H,16,17);1H/p-1