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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC(=C1SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CNC(=C1SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

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