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

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(2,4-dimethylphenyl)propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N)C

InChI

InChI=1S/C21H25N3OS/c1-14(2)11-18-7-6-17(13-22)21(23-18)26-10-9-20(25)24-19-8-5-15(3)12-16(19)4/h5-8,12,14H,9-11H2,1-4H3,(H,24,25)