1-(4-methyl-3-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-(1-isobutylbenzimidazol-2-yl)sulfanyl-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 2-[(1-isobutylbenzimidazol-2-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-13(2)11-22-17-7-5-4-6-16(17)21-20(22)27-12-19(24)15-9-8-14(3)18(10-15)23(25)26/h4-10,13H,11-12H2,1-3H3