Coumarin‐Tethered‐1,2,3‐Triazoles: Synthesis, Characterization, Antimicrobial Evaluation, and DFT Studies

Abstract A new series of Coumarin‐tethered‐1,2,3‐triazoles ( 7a–i and 9a–f ) were synthesized by the copper‐assisted 1,3‐dipolar cycloaddition reaction of coumarin alkyne ( 5 ) with variedly substituted azides ( 6a–I and 8a–f ). All the synthesized compounds were spectroscopically characterized and in vitro antimicrobial testing against a panel of bacterial and fungal strains was systematically carried out. The compounds bearing 3‐Cl ( 7b ) and 2‐NO 2 ( 7i ) substituents which emerged as the most potent compounds of the series showed noticeable activity against Staphylococcus aureus . Additionally, density functional theory (DFT) calculations were conducted to explore the chemical reactivity and stability parameters of the compounds.