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

Systemtic Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S/c1-6-7-10-22-13(3)12(2)20-19(22)28-14(4)18(24)21-16-9-8-15(27-5)11-17(16)23(25)26/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,24)