3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C20H22N4O3S/c1-13(2)10-16-6-5-15(12-21)20(22-16)28-9-8-19(25)23-18-11-17(24(26)27)7-4-14(18)3/h4-7,11,13H,8-10H2,1-3H3,(H,23,25)