4-Methyl-3-[(2-{[4-(trifluoromethoxy)phenyl]sulfonyl}ethyl)thio]-5-(trifluoromethyl)-4H-1,2,4-triazole

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Systematic / IUPAC Name: 4-Methyl-3-[(2-{[4-(trifluoromethoxy)phenyl]sulfonyl}ethyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole

ID: Reference6375

Other Names: 4H-1,2,4-Triazole, 4-methyl-3-[(2-{[4-(trifluoromethoxy)phenyl]sulfonyl}ethyl)thio]-5-(trifluoromethyl)-

Formula: C13H11F6N3O3S2

Spectral Data

4-Methyl-3-[(2-{[4-(trifluoromethoxy)phenyl]sulfonyl}ethyl)thio]-5-(trifluoromethyl)-4H-1,2,4-triazole 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/27/2017 12:07:29 PM
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Identificators

InChI InChI=1S/C13H11F6N3O3S2/c1-22-10(12(14,15)16)20-21-11(22)26-6-7-27(23,24)9-4-2-8(3-5-9)25-13(17,18)19/h2-5H,6-7H2,1H3
InChI Key OAVQEOLONFQEJG-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(F)(F)F
CAS
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Other Names 4H-1,2,4-Triazole, 4-methyl-3-[(2-{[4-(trifluoromethoxy)phenyl]sulfonyl}ethyl)thio]-5-(trifluoromethyl)-

In Other Databases

PubChem 2820858
ChemSpider 2099087