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

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-benzimidazole CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylbenzimidazole Traditional Name: 1-benzyl-2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]benzimidazole Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O2S/c1-18-26-23(30(31)32)24(28(18)16-19-10-4-2-5-11-19)33-25-27-21-14-8-9-15-22(21)29(25)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3