N-(2-chloranyl-4-nitro-phenyl)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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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-])Cl)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CCCC3)C

InChI

InChI=1S/C18H21ClN4O3S/c1-11-12(2)22(13-5-3-4-6-13)18(20-11)27-10-17(24)21-16-8-7-14(23(25)26)9-15(16)19/h7-9,13H,3-6,10H2,1-2H3,(H,21,24)