Synthesis, Crystal Structure and Antitumor Activity of (E)-N-(4-Fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine

摘要

The crystal structure of the title compound (E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine (C19H19FN403S,Mr =402.44) was synthesized,and its structure was characterized by 1H-NMR,13C-NMR,ESI-MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P(1) with a =9.228(13),b =10.364(14),c =10.641(14) (A),α =85.323(3),β =75.172(2),γ =80.903(3)°,μ =0.20 mm-1,Mr =402.44,V=970.64(10) (A)3,Z =2,Dc =1.377 g/cm3,F(000) =420,R =0.0484 and wR =0.1474 for 3181 observed reflections with I ＞ 2σ(I).In addition,the preliminary bioassay indicated that the title compound 5 exhibits better inhibitory activity against Hela than 5-fluorouracil.