Promising Synthetic Antioxidants of Dimethyltin(IV) Formulations Derived From 4‐Acylated Edaravone: Design, DFT Assisted Optimized Molecular Structure and Mechanistic Insights into SET Versus HAT Pathways for Antioxidant Activity

(Complex 9) were calculated using DFT-B3LYP functional in Spartan 20 computational modelling software. Some representative ligands and their corresponding dimethyltin(IV) complexes were tested for their antioxidant activity by 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay. Mechanistic insights into SET versus HAT pathways for antioxidant activity of dimethyltin(IV) formulations of 4-acylated edaravone derivatives have also been studied.