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

Systemtic Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)C

InChI

InChI=1S/C18H23ClN4O3S/c1-5-6-9-22-12(3)11(2)20-18(22)27-13(4)17(24)21-16-10-14(23(25)26)7-8-15(16)19/h7-8,10,13H,5-6,9H2,1-4H3,(H,21,24)