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

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N)C

InChI

InChI=1S/C22H27N3OS/c1-5-17-8-6-7-16(4)21(17)25-20(26)11-12-27-22-18(14-23)9-10-19(24-22)13-15(2)3/h6-10,15H,5,11-13H2,1-4H3,(H,25,26)