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

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(m-tolyl)butanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(3-methylphenyl)butanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(m-tolyl)butyramide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-5-19(20(25)23-17-8-6-7-15(4)12-17)26-21-16(13-22)9-10-18(24-21)11-14(2)3/h6-10,12,14,19H,5,11H2,1-4H3,(H,23,25)