2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodanyl-3-nitro-phenyl)ethanone hydrobromide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodanyl-3-nitro-phenyl)ethanone hydrobromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodo-3-nitro-phenyl)ethanone hydrobromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-iodo-3-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-iodo-3-nitrophenyl)ethanone hydrobromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-iodo-3-nitro-phenyl)ethanone hydrobromide Formula: C15H11BrIN3O3S MolecularWeight: 520.13961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10IN3O3S.BrH/c16-10-6-5-9(7-13(10)19(21)22)14(20)8-23-15-17-11-3-1-2-4-12(11)18-15;/h1-7H,8H2,(H,17,18);1H