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Herein, we describe an efficient and rapid protocol for the synthesis of hitherto unreported 5-(benzothiazol-2-ylmethyl)-4-aryl-1,2,4-triazole-3-thiones by a one-pot condensation of 2-(benzothiazole-2-yl)acetohydrazide and aryl isothiocyanate in the presence of a base in the ionic liquid [bmim]Br. Among the eleven newly synthesized hybrid benzothiazolyl-triazole analogues, 5-(benzothiazol-2-ylmethyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione ( 3d ) displayed promising antifungal activity with MIC values of 12.5 and 0.39 μg/mL against the  Aspergillus fumigatus  and  Candida albicans , respectively. Molecular docking studies employing CYP51 was also carried out to evaluate the binding mode of the most potent triazole derivative.

1,2,4-Triazole-3-Thiones: Greener, One-Pot, Ionic Liquid Mediated Synthesis and Antifungal Activity