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

Systemtic Name: 5,6-dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole Openeye Name: 5,6-dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole CAS Name: 5,6-dimethyl-2-[(3-methyl-5-nitro-4-imidazolyl)thio]-1H-benzimidazole IUPAC Name: 5,6-dimethyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole Traditional Name: 5,6-dimethyl-2-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1H-benzimidazole Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SC3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SC3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O2S/c1-7-4-9-10(5-8(7)2)16-13(15-9)21-12-11(18(19)20)14-6-17(12)3/h4-6H,1-3H3,(H,15,16)