CAS 76111-27-8

2,4-Dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione, with CAS number 76111-27-8, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance is characterized by its thione functional group, which indicates the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The compound features a phenyl group and a 4-methylphenoxy group, which may influence its solubility and interaction with biological systems. It is often studied for its potential applications in agriculture as a fungicide or herbicide due to its ability to inhibit certain biological pathways in target organisms. The presence of multiple aromatic rings suggests that it may exhibit significant stability and lipophilicity, which can affect its bioavailability and environmental persistence. As with many triazole derivatives, it may also possess antifungal properties, making it of interest in both agricultural and pharmaceutical research.

Formula: C₁₆H₁₅N₃OS

InChI: InChI=1S/C16H15N3OS/c1-12-7-9-14(10-8-12)20-11-15-17-18-16(21)19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)

InChI key: InChIKey=LNWUGGPDGVUHOY-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(C)C=C1)C=2N(C(=S)NN2)C3=CC=CC=C3

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-
• 3-[(4-Methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
• 2,4-Dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione