2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-6-nitro-1H-benzimidazole

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-6-nitro-1H-benzimidazole CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-6-nitro-1H-benzimidazole IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]-6-nitro-1H-benzimidazole Formula: C13H12N6O4S MolecularWeight: 348.33718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O4S/c1-8-14-7-12(19(22)23)17(8)4-5-24-13-15-10-3-2-9(18(20)21)6-11(10)16-13/h2-3,6-7H,4-5H2,1H3,(H,15,16)