2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: N-(2-fluoro-5-nitro-phenyl)-2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: 2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetamide Formula: C17H21FN4O3S MolecularWeight: 380.437043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)CC(C)C)C

InChI

InChI=1S/C17H21FN4O3S/c1-10(2)8-21-12(4)11(3)19-17(21)26-9-16(23)20-15-7-13(22(24)25)5-6-14(15)18/h5-7,10H,8-9H2,1-4H3,(H,20,23)