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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O3S/c1-10(2)9-22-12(4)11(3)20-18(22)27-13(5)17(24)21-16-8-14(23(25)26)6-7-15(16)19/h6-8,10,13H,9H2,1-5H3,(H,21,24)