3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-p-phenetyl-propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C21H25N3O2S/c1-4-26-19-9-7-17(8-10-19)23-20(25)11-12-27-21-16(14-22)5-6-18(24-21)13-15(2)3/h5-10,15H,4,11-13H2,1-3H3,(H,23,25)