3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(4-phenylthiazol-2-yl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(4-phenyl-2-thiazolyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(4-phenylthiazol-2-yl)propionamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4OS2/c1-2-3-9-18-11-10-17(14-23)21(24-18)28-13-12-20(27)26-22-25-19(15-29-22)16-7-5-4-6-8-16/h4-8,10-11,15H,2-3,9,12-13H2,1H3,(H,25,26,27)