For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ethanone, 1-(4-fluorophenyl)-2-[[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]thio]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

ethanone, 1-(4-fluorophenyl)-2-[[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID HUHyfbyjhdP
InChI InChI=1S/C22H17FN4OS/c23-17-13-11-16(12-14-17)20(28)15-29-22-26-25-21(24-18-7-3-1-4-8-18)27(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,25)
InChIKey YDHOWUWBODKCPW-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H17FN4OS
Exact Mass 404.110711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 98SBKUTyoLN
Name 1-(4-fluorophenyl)-2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17FN4OS
InChI InChI=1S/C22H17FN4OS/c23-17-13-11-16(12-14-17)20(28)15-29-22-26-25-21(24-18-7-3-1-4-8-18)27(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,25)
InChIKey YDHOWUWBODKCPW-UHFFFAOYSA-N
Molecular Weight 404.463 g/mol
SMILES N(c1[n](c(SCC(c2ccc(cc2)F)=O)nn1)-c1ccccc1)c1ccccc1
SPLASH splash10-00fr-9710000000-2445f609847be76f59e5
Synonyms 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone
Wiley ID 1452860