2-(4-Chlorobenzoyl)-3-({1-methyl-1-oxo-1-[5-(trifluoromethyl)-2-pyridyl]-λ6-sulfanylidene}amino)acrylonitrile

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Systematic / IUPAC Name: (2E)-2-(4-Chlorobenzoyl)-3-({methyl(oxido)[5-(trifluoromethyl)-2-pyridinyl]-λ6-sulfanylidene}amino)acrylonitrile

ID: Reference4716

Other Names: Benzenepropanenitrile, 4-chloro-α-[({methyloxido[5-(trifluoromethyl)-2-pyridinyl]sulfanylidene}amino)methylene]-β-oxo-, (αE)-

Formula: C17H11ClF3N3O2S

Spectral Data

2-(4-Chlorobenzoyl)-3-({1-methyl-1-oxo-1-[5-(trifluoromethyl)-2-pyridyl]-λ6-sulfanylidene}amino)acrylonitrile 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 4/29/2016 9:59:16 AM
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Identificators

InChI InChI=1S/C17H11ClF3N3O2S/c1-27(26,15-7-4-13(10-23-15)17(19,20)21)24-9-12(8-22)16(25)11-2-5-14(18)6-3-11/h2-7,9-10H,1H3/b12-9+
InChI Key FZJNGLJSYDITGD-FMIVXFBMSA-N
Canonical SMILES CS(=NC=C(C#N)C(=O)C1=CC=C(C=C1)Cl)(=O)C2=NC=C(C=C2)C(F)(F)F
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Other Names Benzenepropanenitrile, 4-chloro-α-[({methyloxido[5-(trifluoromethyl)-2-pyridinyl]sulfanylidene}amino)methylene]-β-oxo-, (αE)-

In Other Databases

ChemSpider 2099366
PubChem 2821138