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CAS 321913-54-6

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6-Methyl-α-[4-(methylthio)phenyl]-β-oxo-3-pyridinepropanenitrile

Description:
6-Methyl-α-[4-(methylthio)phenyl]-β-oxo-3-pyridinepropanenitrile, with the CAS number 321913-54-6, is a synthetic organic compound characterized by its complex structure, which includes a pyridine ring, a nitrile group, and a ketone functionality. This compound features a methyl group and a methylthio group, which contribute to its unique chemical properties and potential biological activity. The presence of the pyridine moiety suggests that it may exhibit basic properties, while the nitrile group can participate in various chemical reactions, including nucleophilic additions. The compound's structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can interact with biological targets. Additionally, its specific arrangement of substituents may influence its solubility, stability, and reactivity, making it a subject of interest for further research in organic synthesis and drug development. As with many synthetic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.
Formula:C16H14N2OS
InChI:InChI=1S/C16H14N2OS/c1-11-3-4-13(10-18-11)16(19)15(9-17)12-5-7-14(20-2)8-6-12/h3-8,10,15H,1-2H3
InChI key:InChIKey=OBCGEALAAFPYBA-UHFFFAOYSA-N
SMILES:C(C(=O)C=1C=CC(C)=NC1)(C#N)C2=CC=C(SC)C=C2
Synonyms:
  • 6-Methyl-α-[4-(methylthio)phenyl]-β-oxo-3-pyridinepropanenitrile
  • 3-Pyridinepropanenitrile, 6-methyl-α-[4-(methylthio)phenyl]-β-oxo-
  • Etoricoxib Impurity 42
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