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

*Links on SpectraBase are not permalinks.
(4-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)(4-pyridinyl)methanone
SpectraBase Compound ID 57TaBiDZj5O
InChI InChI=1S/C26H16FN5O3S/c27-20-6-4-5-19(15-20)25-29-30-26(31(25)21-7-2-1-3-8-21)36-23-10-9-18(16-22(23)32(34)35)24(33)17-11-13-28-14-12-17/h1-16H
InChIKey IQWZFXSXDVBIIN-UHFFFAOYSA-N
Mol Weight 497.5 g/mol
Molecular Formula C26H16FN5O3S
Exact Mass 497.095789 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 WUEtZ1X7uj
Name [4-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-(4-pyridyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H16FN5O3S
InChI InChI=1S/C26H16FN5O3S/c27-20-6-4-5-19(15-20)25-29-30-26(31(25)21-7-2-1-3-8-21)36-23-10-9-18(16-22(23)32(34)35)24(33)17-11-13-28-14-12-17/h1-16H
InChIKey IQWZFXSXDVBIIN-UHFFFAOYSA-N
Molecular Weight 497.504 g/mol
SMILES c1ccc(-[n]2c(nnc2-c2cc(F)ccc2)Sc2c(N(=O)=O)cc(cc2)C(=O)c2ccncc2)cc1
SPLASH splash10-0fb9-9820300000-b131fe2b8ed3b09cbfef
Synonyms [4-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-pyridin-4-yl-methanone [4-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]-(4-pyridyl)methanone [4-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-pyridin-4-ylmethanone
Wiley ID 1462206