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

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C20H25FN4O3S MolecularWeight: 420.500903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3CCCCC3)C

InChI

InChI=1S/C20H25FN4O3S/c1-12-13(2)24(16-7-5-4-6-8-16)20(22-12)29-14(3)19(26)23-15-9-10-17(21)18(11-15)25(27)28/h9-11,14,16H,4-8H2,1-3H3,(H,23,26)