3-[3,5-bis(trifluoromethyl)anilino]-2-(2-thienylsulfonyl)acrylonitrile

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Systematic / IUPAC Name: (2E)-3-{[3,5-Bis(trifluoromethyl)phenyl]amino}-2-(2-thienylsulfonyl)acrylonitrile

ID: Reference3697

Other Names: 2-Propenenitrile, 3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(2-thienylsulfonyl)-, (2E)-

Formula: C15H8F6N2O2S2

Spectral Data

3-[3,5-bis(trifluoromethyl)anilino]-2-(2-thienylsulfonyl)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 2/4/2016 9:16:20 AM
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Identificators

InChI InChI=1S/C15H8F6N2O2S2/c16-14(17,18)9-4-10(15(19,20)21)6-11(5-9)23-8-12(7-22)27(24,25)13-2-1-3-26-13/h1-6,8,23H/b12-8+
InChI Key YJIARGCSGVFVGN-XYOKQWHBSA-N
Canonical SMILES C1=CSC(=C1)S(=O)(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N
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Other Names 2-Propenenitrile, 3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(2-thienylsulfonyl)-, (2E)-

In Other Databases

PubChem 2819298
ChemSpider 2097532