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

*Links on SpectraBase are not permalinks.

N-(2,4-difluorophenyl)-2-{[4-(2-furylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(2,4-difluorophenyl)-2-{[4-(2-furylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Gz1TJgsg3Yt
InChI InChI=1S/C22H18F2N4O2S/c1-14-4-2-5-15(10-14)21-26-27-22(28(21)12-17-6-3-9-30-17)31-13-20(29)25-19-8-7-16(23)11-18(19)24/h2-11H,12-13H2,1H3,(H,25,29)
InChIKey LPWIQHNBMSFFFK-UHFFFAOYSA-N
Mol Weight 440.47 g/mol
Molecular Formula C22H18F2N4O2S
Exact Mass 440.111853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID COzTV7QpAwG
Name N-(2,4-Difluorophenyl)-2-{[4-(2-furylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.111853334 u
Formula C22H18F2N4O2S
InChI InChI=1S/C22H18F2N4O2S/c1-14-4-2-5-15(10-14)21-26-27-22(28(21)12-17-6-3-9-30-17)31-13-20(29)25-19-8-7-16(23)11-18(19)24/h2-11H,12-13H2,1H3,(H,25,29)
InChIKey LPWIQHNBMSFFFK-UHFFFAOYSA-N
Molecular Weight 440.469 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)CC=1OC=CC1)=O)C1=C(C=C(C=C1)F)F