A new hybrid compound of chalcone-salicylate (title compound) has been successfully synthesized using a linker mode approach under reflux condition. The structure the title established by spectroscopic analysis including UV-Vis, FT-IR, HRMS, 1D, and 2D NMR. Then, computational was also applied in this study through molecular docking MD simulation to explore its potency against breast cancer. re...

Four different new Schiff basses tethered indolyl-triazole-3-thione hybrid were designed and synthesized. X-ray single crystal structure, tautomerism, DFT, NBO Hirshfeld analysis explored. crystallographic investigations with the aid of calculations used to analyze molecular packing studied systems. The H···H, H···C, S···H, Br···C, O···H, C···C N···H interactions are most important in 3. In cas...