CAS 860786-91-0

2-Cyano-3-(4-oxo-4H-1-benzopyran-3-yl)-2-propenethioamide

Description:

2-Cyano-3-(4-oxo-4H-1-benzopyran-3-yl)-2-propenethioamide is a chemical compound characterized by its unique structural features, which include a cyano group, a thioamide functional group, and a benzopyran moiety. The presence of the cyano group indicates potential reactivity, particularly in nucleophilic addition reactions. The benzopyran structure contributes to its aromatic properties and may influence its biological activity, as compounds with similar structures often exhibit various pharmacological effects. The thioamide group can enhance the compound's reactivity and solubility in organic solvents. This compound may be of interest in medicinal chemistry and organic synthesis due to its potential applications in drug development or as a building block for more complex molecules. Its specific properties, such as solubility, melting point, and stability, would depend on the molecular interactions and the environment in which it is studied. Overall, 2-Cyano-3-(4-oxo-4H-1-benzopyran-3-yl)-2-propenethioamide represents a versatile structure with potential implications in various chemical and biological contexts.

Formula: C₁₃H₈N₂O₂S

InChI: InChI=1S/C13H8N2O2S/c14-6-8(13(15)18)5-9-7-17-11-4-2-1-3-10(11)12(9)16/h1-5,7H,(H2,15,18)

InChI key: InChIKey=JZJRRGVCXFMYBA-UHFFFAOYSA-N

SMILES: O=C1C=2C(OC=C1C=C(C(N)=S)C#N)=CC=CC2

Synonyms:

• 2-Cyano-3-(4-oxo-4H-1-benzopyran-3-yl)-2-propenethioamide
• 2-Propenethioamide, 2-cyano-3-(4-oxo-4H-1-benzopyran-3-yl)-