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Urea, N-[4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl]-N'-(2-thienylcarbonyl)-
SpectraBase Compound ID 54gWuwYvahw
InChI InChI=1S/C22H15F3N4O2S/c23-22(24,25)19-13-17(29(28-19)16-5-2-1-3-6-16)14-8-10-15(11-9-14)26-21(31)27-20(30)18-7-4-12-32-18/h1-13H,(H2,26,27,30,31)
InChIKey IJIZFKXUVQYLEE-UHFFFAOYSA-N
Mol Weight 456.44 g/mol
Molecular Formula C22H15F3N4O2S
Exact Mass 456.086781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1kQPdOWndN
Name Urea, N-[4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl]-N'-(2-thienylcarbonyl)-
Alternate Name(s) N-[oxo-[4-[2-phenyl-5-(trifluoromethyl)-3-pyrazolyl]anilino]methyl]-2-thiophenecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15F3N4O2S
InChI InChI=1S/C22H15F3N4O2S/c23-22(24,25)19-13-17(29(28-19)16-5-2-1-3-6-16)14-8-10-15(11-9-14)26-21(31)27-20(30)18-7-4-12-32-18/h1-13H,(H2,26,27,30,31)
InChIKey IJIZFKXUVQYLEE-UHFFFAOYSA-N
Molecular Weight 456.443 g/mol
SMILES N(C(Nc1ccc(cc1)-c1cc(n[n]1-c1ccccc1)C(F)(F)F)=O)C(=O)c1cccs1
SPLASH splash10-01t9-9504000000-291d93fcb83b4e29f4d5
Source of Spectrum IY-1-4479-3
Wiley ID 1652776