A series of novel 4-methyl-1,2,4-triazole-thioethers containing gem-dimethylcyclopropane ring were designed and synthesized by multi-step reactions in search of potent novel bioactive molecules. Structures of all the target compounds were characterized by means of UV-Vis, FTIR, NMR, ESI-MS, and elemental analysis. The antifungal and herbicidal activities of the target compounds were preliminarily evaluated. As indicated in bioassay results, 2 compounds exhibited excellent antifungal activity against Physalospora piricola, which are much better than that of the commercial fungicide of chlorothalonil used as positive control. Also, at 100 µg/mL, 4 compounds displayed prominent herbicidal activity against the root-growth of rape (Brassica campestris), which are much better than that of the commercial herbicide of flumioxazin used as positive control. In the interest of developing more effective antifungal compounds against P. piricola, the preliminary analysis of three-dimensional quantitative structure-activity relationship (3D-QSAR) was carried out using the molecular field analysis (CoMFA) method, and a reasonable and effective 3D-QSAR model (r 2 ＝0.985, q 2 ＝0.509) has been established.

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In search of novel potent bioactive compounds, a series of novel dehydroabietic acid derivatives bearing 1,2,4-triazolo-thiazolidinone moieties were designed and synthesized. Seven compounds were synthesized of the type 6-substituted benzylidene-3-dehydroabietyl-thiazolo[2,3-c][1,2,4]triazol-5-ones. To this purpose a condensation reaction was performed with 3-dehydroabietyl-thiazolo[2,3-c][1,2,4]triazol-5-one and various aromatic aldehydes. All the title compounds were analyzed and characterized by means of IR, MS, 1H NMR, 13C NMR, and elemental analysis. A preliminary bioassay showed that, at a concentration of 50 μg ml-1, the target compounds exhibited the best fungicidal activity against Fusarium graminearum (F. graminearum) of the five fungi tested (F. oxysporum f. cucumerinum, Alternaria solani, Physalospora piricola, Cercospora arachidicola, and F. graminearum).