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Propanamide, 2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)-
SpectraBase Compound ID GSzqWLoOqCB
InChI InChI=1S/C22H18F3N5OS2/c1-14(19(31)27-20-26-10-11-32-20)33-21-29-28-18(30(21)17-8-3-2-4-9-17)13-15-6-5-7-16(12-15)22(23,24)25/h2-12,14H,13H2,1H3,(H,26,27,31)
InChIKey TXOWUWNEBXEKMR-UHFFFAOYSA-N
Mol Weight 489.54 g/mol
Molecular Formula C22H18F3N5OS2
Exact Mass 489.090487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwHH9cYkJBc
Name Propanamide, 2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18F3N5OS2
InChI InChI=1S/C22H18F3N5OS2/c1-14(19(31)27-20-26-10-11-32-20)33-21-29-28-18(30(21)17-8-3-2-4-9-17)13-15-6-5-7-16(12-15)22(23,24)25/h2-12,14H,13H2,1H3,(H,26,27,31)
InChIKey TXOWUWNEBXEKMR-UHFFFAOYSA-N
Molecular Weight 489.535 g/mol
SMILES N(C(C(Sc1[n](c(Cc2cc(ccc2)C(F)(F)F)nn1)-c1ccccc1)C)=O)c1nccs1
SPLASH splash10-0a4i-7912000000-bf11a9317403bcbe3f60
Source of Spectrum IY-1-4497-2
Synonyms 2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)propanamide 2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-propanamide 2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
Wiley ID 1652955