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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4OS2/c1-15(2)12-18-9-8-17(13-23)21(24-18)28-11-10-20(27)26-22-25-19(14-29-22)16-6-4-3-5-7-16/h3-9,14-15H,10-12H2,1-2H3,(H,25,26,27)