CAS 321430-71-1

5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-α-[(4-methoxyphenyl)methylene]-1H-1,2,4-triazole-3-acetonitrile

Description:

The chemical substance known as 5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-α-[(4-methoxyphenyl)methylene]-1H-1,2,4-triazole-3-acetonitrile, with the CAS number 321430-71-1, is a complex organic compound characterized by its unique structural features. It contains a triazole ring, which is a five-membered heterocyclic compound containing three nitrogen atoms, contributing to its potential biological activity. The presence of a trifluoromethyl group and a chloro substituent on the pyridine ring enhances its lipophilicity and may influence its interaction with biological targets. Additionally, the methoxyphenylmethylene moiety adds to its structural diversity, potentially affecting its solubility and reactivity. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry and drug development. Its synthesis and characterization would typically involve standard organic reactions, and its stability and reactivity would be influenced by the functional groups present. Overall, this compound represents a class of triazole derivatives that could have applications in pharmaceuticals or agrochemicals.

Formula: C₁₉H₁₃ClF₃N₅OS

InChI: InChI=1S/C19H13ClF3N5OS/c1-29-14-4-2-11(3-5-14)6-12(8-24)17-26-16(27-28-17)10-30-18-15(20)7-13(9-25-18)19(21,22)23/h2-7,9H,10H2,1H3,(H,26,27,28)

InChI key: InChIKey=QEALUSMBTQAABM-UHFFFAOYSA-N

SMILES: C(=CC1=CC=C(OC)C=C1)(C#N)C=2NC(CSC3=C(Cl)C=C(C(F)(F)F)C=N3)=NN2

Synonyms:

• 5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-α-[(4-methoxyphenyl)methylene]-1H-1,2,4-triazole-3-acetonitrile
• 1H-1,2,4-Triazole-3-acetonitrile, 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-α-[(4-methoxyphenyl)methylene]-