CAS 730992-67-3

6-Chloro-8-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-4H-1-benzopyran-3-carboxaldehyde

Description:

6-Chloro-8-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-4H-1-benzopyran-3-carboxaldehyde is a complex organic compound characterized by its unique structural features, which include a benzopyran core, a chloro substituent, and a triazole moiety. The presence of the chloro group enhances its reactivity and potential biological activity. The triazole ring, known for its role in medicinal chemistry, contributes to the compound's pharmacological properties, often associated with antifungal and antimicrobial activities. The thioether linkage provides additional stability and may influence the compound's solubility and interaction with biological targets. The aldehyde functional group is reactive and can participate in various chemical reactions, making this compound versatile in synthetic applications. Overall, this substance exhibits a combination of heterocyclic and aromatic characteristics, which may be explored for potential therapeutic uses or as a lead compound in drug development. Its specific properties, such as solubility, melting point, and biological activity, would require empirical investigation for detailed characterization.

Formula: C₁₄H₁₀ClN₃O₃S

InChI: InChI=1S/C14H10ClN3O3S/c1-18-7-16-17-14(18)22-6-8-2-10(15)3-11-12(20)9(4-19)5-21-13(8)11/h2-5,7H,6H2,1H3

InChI key: InChIKey=PUCIWBGMYCZVJZ-UHFFFAOYSA-N

SMILES: O=C1C=2C(=C(CSC=3N(C)C=NN3)C=C(Cl)C2)OC=C1C=O

Synonyms:

• 4H-1-Benzopyran-3-carboxaldehyde, 6-chloro-8-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-
• 6-Chloro-8-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-4H-1-benzopyran-3-carboxaldehyde