Date Published: May 01, 2012
Publisher: International Union of Crystallography
Author(s): Yue-Ping Wang, Wan-Lu Yan, Qiong Guo, Yan-Ping He.
The title compound, C17H21BrN4OS, was synthesized as a potential reverse transcriptase (RT) inhibitor of the human immunodeficiency virus type 1 (HIV-1). In the molecule, there is an N—H⋯S hydrogen bond making a five-membered ring. In the crystal, molecules are connected into centrosymmetric dimers via pairs of N—H⋯N and weak C—H⋯N hydrogen bonds. The crystal structure also features C—H⋯O interactions.
The 1,2,4-triazole scaffold and its analogues are important pharmacophores that can be found in biologically active compounds across a number of different therapeutic areas, see: Lin et al. (2005 ▶); Naito et al. (1996 ▶); Sui et al. (1998 ▶); Tafi et al. (2002 ▶).