2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(3,4-dimethylphenyl)butanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(3,4-dimethylphenyl)butyramide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C22H27N3OS/c1-6-20(21(26)24-19-9-7-15(4)16(5)12-19)27-22-17(13-23)8-10-18(25-22)11-14(2)3/h7-10,12,14,20H,6,11H2,1-5H3,(H,24,26)