title: 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}, C(12)H(13)N(5)O(2)S, 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 mol-ecules 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).
authors.forename: Anton V
authors.initials: AV
authors.lastname: Dolzhenko
authors.forename: Geok Kheng
authors.initials: GK
authors.lastname: Tan
authors.forename: Lip Lin
authors.initials: LL
authors.lastname: Koh
authors.forename: Anna V
authors.initials: AV
authors.lastname: Dolzhenko
authors.forename: Wai Keung
authors.initials: WK
authors.lastname: Chui