2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(3,5-dimethylphenyl)propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=C(C=CC(=N2)CC(C)C)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=C(C=CC(=N2)CC(C)C)C#N)C

InChI

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