2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)butanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)butanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(2-methoxyphenyl)butanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(2-methoxyphenyl)butanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)butanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(2-methoxyphenyl)butyramide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C21H25N3O2S/c1-5-19(20(25)24-17-8-6-7-9-18(17)26-4)27-21-15(13-22)10-11-16(23-21)12-14(2)3/h6-11,14,19H,5,12H2,1-4H3,(H,24,25)