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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone bromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone bromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(2,4-dimethylphenyl)ethanone bromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone bromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(2,4-dimethylphenyl)ethanone bromide Formula: C17H16BrN2OS- MolecularWeight: 376.29074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)C.[Br-]

InChI

InChI=1S/C17H16N2OS.BrH/c1-11-7-8-13(12(2)9-11)16(20)10-21-17-18-14-5-3-4-6-15(14)19-17;/h3-9H,10H2,1-2H3,(H,18,19);1H/p-1