2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)butanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)butanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3,5-dimethylphenyl)butanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)butanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3,5-dimethylphenyl)butyramide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H27N3OS/c1-5-7-8-18-10-9-17(14-23)22(25-18)27-20(6-2)21(26)24-19-12-15(3)11-16(4)13-19/h9-13,20H,5-8H2,1-4H3,(H,24,26)