2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-[(3-cyano-6-methyl-2-pyridyl)thio]-N-homoveratryl-butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C=CC(=N2)C)C#N

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C=CC(=N2)C)C#N

InChI

InChI=1S/C21H25N3O3S/c1-5-19(28-21-16(13-22)8-6-14(2)24-21)20(25)23-11-10-15-7-9-17(26-3)18(12-15)27-4/h6-9,12,19H,5,10-11H2,1-4H3,(H,23,25)