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

Systemtic Name: 3-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(4-phenylthiazol-2-yl)propanamide CAS Name: 3-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(4-phenyl-2-thiazolyl)propanamide IUPAC Name: 3-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(4-phenylthiazol-2-yl)propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS2/c1-2-6-17-10-9-16(13-22)20(23-17)27-12-11-19(26)25-21-24-18(14-28-21)15-7-4-3-5-8-15/h3-5,7-10,14H,2,6,11-12H2,1H3,(H,24,25,26)