报道合成了一种新的化合物硫代碳酰肼缩邻香草醛(1)(C19H22N5O4S,Mr=416.48),通过元素分析、红外光谱、紫外光谱和氢核磁共振谱对其结构进行了表征。用X-射线单晶衍射测定了其晶体结构。结果表明:晶体属于三斜晶系,P1-空间群,晶胞参数:a=0.9983(1)nm,b=1.0509(1)nm,c=1.0748(1)nm,α=90.089(2)°,β=110.033(2)°,γ=103.069(2)°。用开孔Z-扫描技术在523 nm脉冲激光波长下研究了该化合物的DMF溶液的三阶非线性光学性质。单晶数据注册编号:CCDC 240088。 A novel compound, thiocarbonyl-p-vanillin (1) (C19H22N5O4S, Mr = 416.48) has been synthesized. Its structure was characterized by elemental analysis, IR, UV and 1H NMR spectra. The crystal structure was determined by X-ray single crystal diffraction. The results show that the crystal belongs to the triclinic system with P1-space group and the unit cell parameters are as follows: a = 0.9983 (1) nm, b = 1.0509 , β = 110.033 (2) °, γ = 103.069 (2) °. The third-order nonlinear optical properties of the DMF solution of this compound were investigated by open-hole Z-scan at 523 nm pulsed laser wavelength. Single crystal data registration number: CCDC 240088.