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- W2041568622 abstract "THE TITLE COMPOUND, [SYSTEMATIC NAME: ethyl ({[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]amino}carbonothioyl)carbamate], C(13)H(16)N(5)O(2)S, exists in the 3-aryl-5-thio-ureido-1H-1,2,4-triazole tautomeric form. The mol-ecular structure is stabilized by intra-molecular hydrogen bonding (N-H⋯S=C between the endocyclic N-bound H atom and the thio-ureido S atom, and N-H⋯O=C within the ethoxy-carbonyl-thio-urea unit), both arranged in an S(6) graph-set motif. The mean planes of the phenyl and 1,2,4-triazole rings make a dihedral angle of 6.59 (10)°. In the crystal structure, the mol-ecules form two types of centrosymmetric dimers connected by inter-molecular hydrogen bonds; in the first, the N-NH triazole sides of two mol-ecules are connected [R(2) (2)(6) graph-set motif] and the second is an N-H⋯S=C inter-action between the imide H atoms and the thio-carbonyl S atoms [R(2) (2)(8) graph-set motif]. Together, they form a network parallel to the (111) plane." @default.
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- W2041568622 date "2010-02-06" @default.
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- W2041568622 title "<i>N</i>-Carbethoxy-<i>N</i>′-[3-(4-methylphenyl)-1<i>H</i>-1,2,4-triazol-5-yl]thiourea" @default.
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- W2041568622 doi "https://doi.org/10.1107/s1600536810004289" @default.
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