2-[(4-Amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one

A new hybrid heterocyclic compound, 2-[(4-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one (3), was synthesized by the reaction of 4-amino-4H-1,2,4-triazole-3-thione with 2-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one under alkaline conditions. The target compound was obtained in a 63% yield and purified by recrystallization from butanol. Its structure was confirmed by elemental analysis, FT-IR spectroscopy, 1H and 13C NMR spectroscopy, DEPT-135, and 2D NMR (COSY, NOESY, HSQC, HMBC). The spectroscopic data were fully consistent with the proposed molecular structure. The synthesized molecule combines two pharmacologically relevant structural motifs, namely a 4-amino-1,2,4-triazole fragment and a 4-(4-chlorophenyl)piperazine moiety, connected through a sulfur-containing linker. The physicochemical characteristics and analytical data of the title compound are reported.