5,6-dimethoxy-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole

Systemtic Name: 5,6-dimethoxy-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole Openeye Name: 5,6-dimethoxy-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole CAS Name: 5,6-dimethoxy-2-[(3-methyl-5-nitro-4-imidazolyl)thio]-1H-benzimidazole IUPAC Name: 5,6-dimethoxy-2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole Traditional Name: 5,6-dimethoxy-2-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1H-benzimidazole Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S/c1-17-6-14-11(18(19)20)12(17)23-13-15-7-4-9(21-2)10(22-3)5-8(7)16-13/h4-6H,1-3H3,(H,15,16)