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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4OS2/c1-3-8-17-12-11-16(13-23)21(24-17)29-19(4-2)20(27)26-22-25-18(14-28-22)15-9-6-5-7-10-15/h5-7,9-12,14,19H,3-4,8H2,1-2H3,(H,25,26,27)