2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C17H21FN4O3S MolecularWeight: 380.437043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN4O3S/c1-4-5-8-21-12(3)11(2)19-17(21)26-10-16(23)20-13-6-7-14(18)15(9-13)22(24)25/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,23)