A simple and efficient one‐pot three‐component azide‐alkyne cycloaddition of 5‐chloro‐1‐phenyl‐pyrazole‐4‐carbaldehyde with 2‐(prop‐2‐yn‐1‐ylthio)‐5‐(substituted phenoxy)methyl‐1,3,4‐oxadiazole and sodium azide is reported. The newly synthesized compounds were characterized by spectral and analytical data. They were screened for in vitro anti‐inflammatory activity by bovine serum albumin denaturation assay. All the tested compounds showed moderate anti‐inflammatory activity, whereas three compounds (4d, 4i, and 4k) showed excellent activity comparable with that of the standard drug diclofenac sodium. The quantitative structure‐activity relationship (QSAR) study was carried out for anti‐inflammatory activities of the synthesized compounds and developed a QSAR model. Inspired by their in vitro anti‐inflammatory activities, they were docked to the active site of COX‐2 to know the anti‐inflammatory potency in silico.

One‐pot three‐component 1,3‐dipolar cycloaddition reaction of azomethineylides generated from various combinations of isatin and ninhydrin with α‐aminoacids to 5‐nitrofurancontaining acetylenic ketones was carried out under thermal and microwave methods. The study of the regiochemical trend during the cycloaddition suggested that the nitrofuran ring exert no effect on the regiochemistry of the reaction as observed in the case of nitrofuran containing chalcones. The reason for the nil influence of the nitrofuran group is attributed to the increased electron density due to the triple bond. The newly synthesized compounds were docked to the active site of human anaplastic lymphoma kinase (ALK) to know the cancer cell toxicity in silico. The compounds 4b and 5a showed good binding interactions with the target in the active site.

Two new N-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl}benzamides have been prepared by acid-promoted condensation reactions between 3-aryl-4-formylsydnones and N-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide, and both have been crystallized as ethanol monosolvates. N-{[4-(3-Phenyl-4-sydnonylideneamino)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl}benzamide ethanol monosolvate, C19H15N7O3S·C2H6O (I), and N-({4-[3-(4-methylphenyl)-4-sydnonylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl}methyl)benzamide ethanol monosolvate, C20H17N7O3S·C2H6O (II), differ only in the presence of a methyl group for (II) instead of a hydrogen atom for (I), and in both of them the ethanol component is disordered over two sets of atomic sites having occupancies of 0.836 (6) and 0.164 (6) in (I), and 0.906 (6) and 0.094 (6) in (II). Combinations of O—H...O and N—H...O hydrogen bonds link the molecules into cyclic, centrosymmetric four-molecule aggregates. Comparisons are made with the structures of some related compounds.