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

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)butanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(2,5-dimethylphenyl)butanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(2,5-dimethylphenyl)butanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)butanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(2,5-dimethylphenyl)butyramide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H25N3OS/c1-5-7-17-11-10-16(13-22)21(23-17)26-19(6-2)20(25)24-18-12-14(3)8-9-15(18)4/h8-12,19H,5-7H2,1-4H3,(H,24,25)