CAS 1001567-71-0

2,4-Dihydro-4-methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its complex structure, which includes a triazole ring and a pyrazole moiety. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The trifluoromethyl group enhances its lipophilicity and may influence its interaction with biological targets. The presence of multiple heteroatoms (nitrogen and sulfur) in its structure suggests potential applications in agrochemicals or pharmaceuticals, particularly as a fungicide or herbicide. The compound's unique arrangement of functional groups may also impart specific properties such as solubility and stability under various conditions. Overall, its intricate molecular architecture positions it as a candidate for further research in medicinal chemistry and agricultural science.

Formula: C₈H₈F₃N₅S

InChI: InChI=1S/C8H8F3N5S/c1-15-6(12-13-7(15)17)4-3-5(8(9,10)11)14-16(4)2/h3H,1-2H3,(H,13,17)

InChI key: InChIKey=BOMZGKVMGIOOBS-UHFFFAOYSA-N

SMILES: CN1C(=CC(C(F)(F)F)=N1)C=2N(C)C(=S)NN2

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
• 2,4-Dihydro-4-methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3H-1,2,4-triazole-3-thione