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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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