1-(1-Benzofuran-2-yl)-2-({4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one

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Systematic / IUPAC Name: 1-(1-Benzofuran-2-yl)-2-({4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone

ID: Reference4617

Other Names: Ethanone, 1-(2-benzofuranyl)-2-({4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-

Formula: C19H12F3N3O2S

Spectral Data

1-(1-Benzofuran-2-yl)-2-({4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethan-1-one 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/25/2016 8:24:48 AM
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Identificators

InChI InChI=1S/C19H12F3N3O2S/c20-19(21,22)13-5-7-14(8-6-13)25-11-23-24-18(25)28-10-15(26)17-9-12-3-1-2-4-16(12)27-17/h1-9,11H,10H2
InChI Key PAJKMRIKQGFZMB-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NN=CN3C4=CC=C(C=C4)C(F)(F)F
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Other Names Ethanone, 1-(2-benzofuranyl)-2-({4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-

In Other Databases

PubChem 2809546
ChemSpider 2087968