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Synthesis, DFT Characterization and In Silico Evaluation of 1-(4-Methylpiperazin-1-yl-methyl)-3-benzyl-4-(4-hydroxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (MBHT)

In this study, the compound 1-(4-methylpiperazin-1-yl-methyl)-3-benzyl-4-(4-hydroxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (MBHT), synthesized using the Mannich reaction, was comprehensively investigated using theoretical methods. The stable geometry of the molecule...