1-(4-Chlorophenyl)-5-methyl-N-(2-{[3-(trifluoromethyl)benzyl]sulfanyl}ethyl)-1H-pyrazole-4-carboxamide

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Systematic / IUPAC Name: 1-(4-Chlorophenyl)-5-methyl-N-(2-{[3-(trifluoromethyl)benzyl]sulfanyl}ethyl)-1H-pyrazole-4-carboxamide

ID: Reference4635

Other Names: 1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-5-methyl-N-[2-({[3-(trifluoromethyl)phenyl]methyl}thio)ethyl]-

Formula: C21H19ClF3N3OS

Spectral Data

1-(4-Chlorophenyl)-5-methyl-N-(2-{[3-(trifluoromethyl)benzyl]sulfanyl}ethyl)-1H-pyrazole-4-carboxamide 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 4/25/2016 2:07:53 PM
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Identificators

InChI InChI=1S/C21H19ClF3N3OS/c1-14-19(12-27-28(14)18-7-5-17(22)6-8-18)20(29)26-9-10-30-13-15-3-2-4-16(11-15)21(23,24)25/h2-8,11-12H,9-10,13H2,1H3,(H,26,29)
InChI Key FQMLIOWKWPSVFW-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC(=CC=C3)C(F)(F)F
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Other Names 1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-5-methyl-N-[2-({[3-(trifluoromethyl)phenyl]methyl}thio)ethyl]-

In Other Databases

ChEMBL CHEMBL1508067
ChemSpider 2089037
PubChem 2810621