N-Carbethoxy-N'-(3-phenyl-1H-1,2,4-triazol-5-yl)thiourea

Abstract

The title compound {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol- 5-yl)carbamothio-yl]carbamate}, C12H13N5O 2S, exists in the 3-phenyl-5-thio-ureido-1H-1,2,4-triazole tautomeric form stabilized by intra-molecular hydrogen bonding between the endocyclic NH H atom and the thio-ureido S atom. The mol-ecular structure is also stabilized by intra-molecular N - H⋯O=C hydrogen bonds arranged in an S(6) graph-set motif within the carbethoxy-thio-urea moiety. The mean planes of the phenyl and 1,2,4-triazole rings make a dihedral angle of 7.61 (11)°. In the crystal, the molecules form two types of inversion dimers. Inter-molecular hydrogen bonds are arranged in R 2 2(6) and R 2 2(8) graph-set motifs, together forming a network parallel to (111).