5-({[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)-4-phenyl-4H-1,2,4-triazol-3-ol

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Systematic / IUPAC Name: 5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}sulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

ID: Reference4579

Other Names: 3H-1,2,4-Triazol-3-one, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}thio)-2,4-dihydro-4-phenyl-

Formula: C15H10ClF3N4OS

Spectral Data

5-({[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)-4-phenyl-4H-1,2,4-triazol-3-ol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 254
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/18/2016 8:39:07 AM
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Identificators

InChI InChI=1S/C15H10ClF3N4OS/c16-11-6-9(15(17,18)19)7-20-12(11)8-25-14-22-21-13(24)23(14)10-4-2-1-3-5-10/h1-7H,8H2,(H,21,24)
InChI Key DKHYEUUMTRZVKX-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=C(C=C(C=N3)C(F)(F)F)Cl
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Other Names 3H-1,2,4-Triazol-3-one, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}thio)-2,4-dihydro-4-phenyl-

In Other Databases

PubChem 2746203
ChemSpider 2027679