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

Systemtic Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)C

InChI

InChI=1S/C17H21ClN4O3S/c1-4-5-8-21-12(3)11(2)19-17(21)26-10-16(23)20-15-7-6-13(22(24)25)9-14(15)18/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,23)