2-[(3-methyl-4-nitro-1H-imidazol-3-ium-5-yl)sulfanyl]-1H-benzimidazole

Systemtic Name: 2-[(3-methyl-4-nitro-1H-imidazol-3-ium-5-yl)sulfanyl]-1H-benzimidazole Openeye Name: 2-[(3-methyl-4-nitro-1H-imidazol-3-ium-5-yl)sulfanyl]-1H-benzimidazole CAS Name: 2-[(3-methyl-4-nitro-1H-imidazol-3-ium-5-yl)thio]-1H-benzimidazole IUPAC Name: 2-[(3-methyl-4-nitro-1H-imidazol-3-ium-5-yl)sulfanyl]-1H-benzimidazole Traditional Name: 2-[(3-methyl-4-nitro-1H-imidazol-3-ium-5-yl)thio]-1H-benzimidazole Formula: C11H10N5O2S+ MolecularWeight: 276.2944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC(=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

Isomeric SMILES

C[N+]1=CNC(=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C11H9N5O2S/c1-15-6-12-9(10(15)16(17)18)19-11-13-7-4-2-3-5-8(7)14-11/h2-6H,1H3,(H,13,14)/p+1