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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3S/c1-11(2)9-22-13(4)12(3)20-18(22)27-10-17(24)21-16-6-5-15(23(25)26)7-14(16)8-19/h5-7,11H,9-10H2,1-4H3,(H,21,24)