CAS 866009-21-4

4-Chloro-α-[(methylthio)[(4-pyridinylmethyl)amino]methylene]-β-oxobenzenepropanenitrile

Description:

4-Chloro-α-[(methylthio)[(4-pyridinylmethyl)amino]methylene]-β-oxobenzenepropanenitrile, with CAS number 866009-21-4, is a synthetic organic compound characterized by its complex structure, which includes a chloro group, a methylthio moiety, and a pyridinylmethyl amino group. This compound features a β-oxobenzenepropanenitrile framework, indicating the presence of both a ketone and a nitrile functional group, which contribute to its reactivity and potential biological activity. The presence of the pyridine ring suggests possible interactions with biological targets, making it of interest in medicinal chemistry. Its molecular structure may impart specific solubility and stability characteristics, influencing its behavior in various solvents and under different conditions. Additionally, the compound's unique functional groups may allow for diverse applications, including potential use in pharmaceuticals or agrochemicals. However, detailed studies would be necessary to fully understand its properties, including its reactivity, toxicity, and potential therapeutic effects.

Formula: C₁₇H₁₄ClN₃OS

InChI: InChI=1S/C17H14ClN3OS/c1-23-17(21-11-12-6-8-20-9-7-12)15(10-19)16(22)13-2-4-14(18)5-3-13/h2-9,21H,11H2,1H3

InChI key: InChIKey=ZOYFHKUGJXSZBF-UHFFFAOYSA-N

SMILES: C(=C(NCC=1C=CN=CC1)SC)(C(=O)C2=CC=C(Cl)C=C2)C#N

Synonyms:

• 4-Chloro-α-[(methylthio)[(4-pyridinylmethyl)amino]methylene]-β-oxobenzenepropanenitrile
• Benzenepropanenitrile, 4-chloro-α-[(methylthio)[(4-pyridinylmethyl)amino]methylene]-β-oxo-