2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-phenyl-ethanone bromide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-phenyl-ethanone bromide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-phenylethanone bromide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-phenylethanone bromide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-phenyl-ethanone bromide Formula: C15H13BrN2OS MolecularWeight: 349.24552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=[NH+]C3=CC=CC=C3N2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=[NH+]C3=CC=CC=C3N2.[Br-]

InChI

InChI=1S/C15H12N2OS.BrH/c18-14(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-13(12)17-15;/h1-9H,10H2,(H,16,17);1H