In this study, the structure of 4-[4-(diethylamino)-benzylideneamino]-5-benzyl-2 H-1, 2, 4-
triazol-3 (4 H)-one (DBT) was examined through spectroscopic and theoretical analyses. In …

Abstract In this study, 4, 4'-(butane-1, 4-diyl) bis (1-((1-(4-chlorobenzyl)-1H-1, 2, 3-triazol-5-
yl) methyl)-3-methyl-1H-1, 2, 4-triazol-5 (4H)-one) was synthesized and characterized by FT …

Triazoles, nitrogen-containing heterocycles, have gained attention for their applications in
medicinal chemistry, drug discovery, agrochemicals, and material sciences. In the current …

In the present work, we have synthesized novel D–π–A substituted bis-1, 3, 4-oxadiazoles
derivatives and studied nonlinear optical properties using density functional theory (DFT) …

Amino-5-(1-hydroxy-ethyl)-2, 4-dihydro-[1, 2, 4] triazole-3-thione was synthesized and
characterized by single crystal x-ray analysis. Thermodynamic calculations at B3LYP/6-31+ …

Density functional theory has been implemented to study the electronic structure, molecular
properties and vibrational spectra of 3-(adamantan-1-yl)-4-(4-chlorophenyl)-1H-1, 2, 4 …

Abstract The Schiff base compound, 4-(3-methyl-3-phenylcyclobutyl)-2-(2-
undecylidenehydrazinyl) thiazole,(C 25 H 37 N 3 S), was synthesized and characterized …

The crystal and molecular structure of 5-(4-chlorophenyl)-2-amino-1, 3, 4-thiadiazole 3 was
reported, which was characterized by various spectroscopic techniques (FT-IR, NMR and …

The three component reaction between 5‑chloro-3-methyl-1-phenyl-1H-pyrazole-4-
carbaldehyde, thiosemicarbazide and 4-nitrophenacyl bromide furnished (E)-2-(2-((5‑chloro …

This study examine the experimental and computational properties of 3-(5‑chloro-
benzofuran-3-ylmethyl)-5-(4‑methoxy-phenyl)-4H-[1, 2, 4] triazole (CBT) based on the …