CAS 122772-22-9

5-(3,4-Dimethoxyphenyl)-2,4-dihydro-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione

Description:

5-(3,4-Dimethoxyphenyl)-2,4-dihydro-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione, with CAS number 122772-22-9, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The presence of methoxy groups on the phenyl ring enhances its lipophilicity and may influence its interaction with biological targets. The compound's structure suggests potential applications in pharmaceuticals, particularly in the development of antifungal or antimicrobial agents, due to the triazole moiety's known efficacy in these areas. Additionally, the presence of multiple aromatic rings may contribute to its stability and solubility characteristics. Overall, this compound's unique structural features make it a subject of interest in medicinal chemistry and material science.

Formula: C₁₇H₁₇N₃O₂S

InChI: InChI=1S/C17H17N3O2S/c1-11-4-7-13(8-5-11)20-16(18-19-17(20)23)12-6-9-14(21-2)15(10-12)22-3/h4-10H,1-3H3,(H,19,23)

InChI key: InChIKey=ZPDHCCBLCVTLJR-UHFFFAOYSA-N

SMILES: S=C1N(C(=NN1)C2=CC(OC)=C(OC)C=C2)C3=CC=C(C)C=C3

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-(3,4-dimethoxyphenyl)-2,4-dihydro-4-(4-methylphenyl)-
• 5-(3,4-Dimethoxyphenyl)-2,4-dihydro-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione