2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone bromide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dichlorophenyl)ethanone bromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C15H10BrCl2N2OS- MolecularWeight: 417.1277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10Cl2N2OS.BrH/c16-10-6-5-9(7-11(10)17)14(20)8-21-15-18-12-3-1-2-4-13(12)19-15;/h1-7H,8H2,(H,18,19);1H/p-1