2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-1-(4-nitrophenyl)ethanone bromide Formula: C16H13BrN3O3S- MolecularWeight: 407.26172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H13N3O3S.BrH/c1-18-14-5-3-2-4-13(14)17-16(18)23-10-15(20)11-6-8-12(9-7-11)19(21)22;/h2-9H,10H2,1H3;1H/p-1