CAS 730997-84-9

1-[4-Methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone

Description:

1-[4-Methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone, with the CAS number 730997-84-9, is a synthetic organic compound characterized by its complex structure that includes a phenyl ring substituted with a methoxy group and a triazole moiety. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, making it of interest in pharmaceutical research. The presence of the triazole ring suggests possible interactions with biological targets, particularly in the context of antifungal or antimicrobial activity, as triazoles are known for their role in inhibiting specific enzymes in pathogens. Additionally, the ethanone functional group indicates that it may undergo typical reactions associated with ketones, such as nucleophilic addition. Overall, this compound's unique structural features contribute to its potential applications in medicinal chemistry and drug development, although specific biological activity and safety profiles would require further investigation through empirical studies.

Formula: C₁₂H₁₃N₃O₂S

InChI: InChI=1S/C12H13N3O2S/c1-8(16)9-3-4-11(17-2)10(5-9)6-18-12-13-7-14-15-12/h3-5,7H,6H2,1-2H3,(H,13,14,15)

InChI key: InChIKey=LJLZZXROEYZXFF-UHFFFAOYSA-N

SMILES: C(SC=1NC=NN1)C2=C(OC)C=CC(C(C)=O)=C2

Synonyms:

• 1-[4-Methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone
• Ethanone, 1-[4-methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]-
• Ethanone, 1-[4-methoxy-3-[(1H-1,2,4-triazol-3-ylthio)methyl]phenyl]-