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

Systemtic Name: 5,6-dimethyl-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1H-benzimidazole Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole CAS Name: 5,6-dimethyl-2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-1H-benzimidazole IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-5,6-dimethyl-1H-benzimidazole Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SC3=C(N=C(N3CC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SC3=C(N=C(N3CC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O2S/c1-12-9-16-17(10-13(12)2)23-20(22-16)28-19-18(25(26)27)21-14(3)24(19)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,23)