CAS 1239753-95-7

1-(4-Methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbothioamide

Description:

1-(4-Methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbothioamide is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a methoxy group attached to a phenyl ring, contributing to its aromatic properties and potentially influencing its solubility and reactivity. The presence of a methyl group at the 5-position of the triazole ring and a carbothioamide functional group at the 4-position enhances its chemical diversity and may impart specific biological activities. The compound's structure suggests potential applications in pharmaceuticals, particularly in the development of antimicrobial or antifungal agents, owing to the triazole moiety's known bioactivity. Additionally, the presence of sulfur in the carbothioamide group may contribute to its reactivity and interaction with biological targets. Overall, this compound exemplifies the complexity and versatility of triazole derivatives in medicinal chemistry.

Formula: C₁₁H₁₂N₄OS

InChI: InChI=1S/C11H12N4OS/c1-7-10(11(12)17)13-14-15(7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H2,12,17)

InChI key: InChIKey=KUTKGLZKODOCEE-UHFFFAOYSA-N

SMILES: CC=1N(N=NC1C(N)=S)C2=CC=C(OC)C=C2

Synonyms:

• 1H-1,2,3-Triazole-4-carbothioamide, 1-(4-methoxyphenyl)-5-methyl-
• 1-(4-Methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbothioamide