CAS 748793-45-5

5-[(4-Chloro-2-methylphenoxy)methyl]-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[(4-Chloro-2-methylphenoxy)methyl]-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, identified by its CAS number 748793-45-5, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a triazole ring substituted with a cyclohexyl group and a phenoxy group that is further substituted with a chloro and a methyl group. The presence of the thione functional group indicates that it contains a sulfur atom double-bonded to a carbon atom, which can influence its reactivity and biological activity. The compound may exhibit various properties such as solubility in organic solvents, potential biological activity, and specific interactions with biological targets, making it of interest in fields like medicinal chemistry and agrochemicals. Its structural complexity suggests potential applications in pharmaceuticals or as a pesticide, although specific biological activities would need to be evaluated through experimental studies.

Formula: C₁₆H₂₀ClN₃OS

InChI: InChI=1S/C16H20ClN3OS/c1-11-9-12(17)7-8-14(11)21-10-15-18-19-16(22)20(15)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,19,22)

InChI key: InChIKey=LVMPLXRDTPIULA-UHFFFAOYSA-N

SMILES: C(OC1=C(C)C=C(Cl)C=C1)C=2N(C(=S)NN2)C3CCCCC3

Synonyms:

• 5-[(4-Chloro-2-methylphenoxy)methyl]-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-2,4-dihydro-