2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone hydrobromide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone hydrobromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone hydrobromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(3-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone hydrobromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(3-nitrophenyl)ethanone hydrobromide Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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