N1-(4-Chlorophenyl)-2-({4-methyl-5-[4-(trifluoromethyl)-3-pyridyl]-4H-1,2,4-triazol-3-yl}thio)acetamide

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Systematic / IUPAC Name: N-(4-Chlorophenyl)-2-({4-methyl-5-[4-(trifluoromethyl)-3-pyridinyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

ID: Reference3820

Other Names: N-(4-Chlorophenyl)-2-({4-methyl-5-[4-(trifluoromethyl)pyridin-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide;
Acetamide, N-(4-chlorophenyl)-2-({4-methyl-5-[4-(trifluoromethyl)-3-pyridinyl]-4H-1,2,4-triazol-3-yl}thio)-

Formula: C17H13ClF3N5OS

Spectral Data

N1-(4-Chlorophenyl)-2-({4-methyl-5-[4-(trifluoromethyl)-3-pyridyl]-4H-1,2,4-triazol-3-yl}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 2
No. of Spectra 244
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/15/2016 8:23:14 AM
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Identificators

InChI InChI=1S/C17H13ClF3N5OS/c1-26-15(12-8-22-7-6-13(12)17(19,20)21)24-25-16(26)28-9-14(27)23-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(H,23,27)
InChI Key QOKWICZSWMUOFV-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=C(C=CN=C3)C(F)(F)F
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Other Names N-(4-Chlorophenyl)-2-({4-methyl-5-[4-(trifluoromethyl)pyridin-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide;
Acetamide, N-(4-chlorophenyl)-2-({4-methyl-5-[4-(trifluoromethyl)-3-pyridinyl]-4H-1,2,4-triazol-3-yl}thio)-

In Other Databases

PubChem 2746111
ChemSpider 2027589