N1-phenyl-2-{[(4-methyl-5-{[4-(trifluoromethoxy)benzyl]thio}-4H-1,2,4-triazol-3-yl)methyl]thio}acetamide

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Systematic / IUPAC Name: 2-{[(4-Methyl-5-{[4-(trifluoromethoxy)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-N-phenylacetamide

ID: Reference4820

Other Names: 2-({[4-Methyl-5-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-N-phenylacetamide;
Acetamide, 2-({[4-methyl-5-({[4-(trifluoromethoxy)phenyl]methyl}thio)-4H-1,2,4-triazol-3-yl]methyl}thio)-N-phenyl-

Formula: C20H19F3N4O2S2

Spectral Data

N1-phenyl-2-{[(4-methyl-5-{[4-(trifluoromethoxy)benzyl]thio}-4H-1,2,4-triazol-3-yl)methyl]thio}acetamide 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 5/12/2016 10:35:37 AM
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Identificators

InChI InChI=1S/C20H19F3N4O2S2/c1-27-17(12-30-13-18(28)24-15-5-3-2-4-6-15)25-26-19(27)31-11-14-7-9-16(10-8-14)29-20(21,22)23/h2-10H,11-13H2,1H3,(H,24,28)
InChI Key VKGVEHMOLLTOKK-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC2=CC=C(C=C2)OC(F)(F)F)CSCC(=O)NC3=CC=CC=C3
CAS
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Other Names 2-({[4-Methyl-5-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-N-phenylacetamide;
Acetamide, 2-({[4-methyl-5-({[4-(trifluoromethoxy)phenyl]methyl}thio)-4H-1,2,4-triazol-3-yl]methyl}thio)-N-phenyl-

In Other Databases

PubChem 2822734
ChemSpider 2100947