An efficient one‐pot, three‐component synthesis of novel 1,2,4triazolo 4′,3′:1,51,2,4triazolo3,4‐b1,3,4thiadiazine derivatives and their molecular docking studies

Abstract A series of novel 1,2,4triazolo4′,3′:1,51,2,4triazolo3,4‐b1,3,4thiadiazines ( 4a‐p ) were synthesized from the reaction of 4‐amino‐5‐hydrazinyl‐4H‐1,2,4‐triazole‐3‐thiol ( 1 ) with different bromoethanones ( 2a‐p ) and substituted benzoic acids ( 3 ) via a one‐pot, three‐component reaction with good to excellent yields. The new fused tri‐cyclic system was achieved without using a catalyst and metal by cyclo‐condensation reaction through a one‐pot approach. The structures of newly synthesized molecules were confirmed by using IR, 1 H‐NMR, 13 C‐NMR, Mass spectral, and analytical data. Molecular docking studies were carried out for the newly synthesized compounds against human cancer receptors (2TKB) with good results.