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

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-6-nitro-1H-benzimidazole Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-6-nitro-1H-benzimidazole IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-6-nitro-1H-benzimidazole Formula: C18H14N6O4S MolecularWeight: 410.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O4S/c1-11-19-16(24(27)28)17(22(11)10-12-5-3-2-4-6-12)29-18-20-14-8-7-13(23(25)26)9-15(14)21-18/h2-9H,10H2,1H3,(H,20,21)