2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-4-5-10-20-13(3)12(2)18-17(20)25-11-16(22)19-14-6-8-15(9-7-14)21(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,19,22)