The use of growth-stimulating signals to increase the tolerance of plants to water deficits can be an important strategy in the production of plants in dry areas. Therefore, a split-plot experiment with three replications was conducted to evaluate the effects of sodium nitroprusside (SNP) application rate as an NO donor (0, 100, and 200 µM) on the growth and yield parameters of Silybum marianum L. (S. marianum) under different irrigation cut-off times (control, irrigation cut-off from stem elongation, and anthesis). The results of this study showed that with increasing drought severity, leaf RWC, proline content and capitula per plant, 1000 grain weight, plant height, branch per plant, capitula diameter, and the biological and grain yield of S. marianum decreased significantly, whereas the number of grains per capitula increased compared with the control. Also, by irrigation cut-off from the stem elongation stage, the density of leaf stomata at the bottom and top epidermis increased by 64% and 39%, respectively, and the length of the stomata at the bottom epidermis of the leaf decreased up to 28%. In contrast, the results of this experiment showed that the exogenous application of nitric oxide reduced the negative effects of irrigation cut-off, such that the application of 100 µM SNP enhanced RWC content (up to 9%), proline concentration (up to 40%), and grain (up to 34%) and biological (up to 44%) yields in plants under drought stress compared with non-application of SNP. The decrease in the number of capitula per plant and capitula diameter was also compensated by foliar application of 100 µM SNP under stress conditions. In addition, exogenous NO changed the behavior of the stomata during the period of dehydration, such that plants treated with SNP showed a decrease in the stomatal density of the leaf and an increase in the length of the stomata at the leaf bottom epidermis. These results indicate that SNP treatment, especially at 100 µM, was helpful in alleviating the deleterious effects of water deficiency and enhancing the tolerance of S. marianum to withholding irrigation times.