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Alkyl/aralkyl/phenacyl thiotriazolyl isoindoline-1,3-diones were synthesized by the reaction of dipotassium cyanodithioimidocarbonate salt with hydrazine hydrate, phthalic anhydride and alkyl/aralkyl/phenacyl bromides using acetic acid and sodium acetate  via  a one-pot four-component synthesis. Alternatively, the same final products were also synthesized by the reaction of dipotassium cyanodithioimidocarbonate salt with hydrazine hydrate in presence of acetic acid to give intermediate 5-amino-4 H -1,2,4-triazole-3-thiol [ I ]. This compound was further reacted with phthalic anhydride, followed by a reaction with alkyl/aralkyl/phenacyl bromides to give the title compounds in a two-step process. In this method, the yields are less compared to one-pot four-component synthesis. All the newly synthesized compounds were characterized by their spectral studies (FTIR,  1 H-NMR,  13 C-NMR, Mass). Further, the synthesized compounds were screened for their  in-vitro  anticancer activity. Compounds  5 m ,  5p ,  5r  showed good cytotoxic assay against  Hela  cancer cell lines. Furthermore, compounds  5(a-t)  were subjected to their docking analysis and DFT calculations.

polycyclic aromatic compounds

Facile One-Pot Multi-Component Synthesis, Characterization, Molecular Docking Studies, Biological Evaluation of 1,2,4-Triazolo Isoindoline-1,3-Diones and Their DFT Calculations