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

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]-6-nitro-1H-benzimidazole IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]-6-nitro-1H-benzimidazole Formula: C11H8N6O4S MolecularWeight: 320.28402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H8N6O4S/c1-15-5-12-9(17(20)21)10(15)22-11-13-7-3-2-6(16(18)19)4-8(7)14-11/h2-5H,1H3,(H,13,14)