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

*Links on SpectraBase are not permalinks.
N-(4-ethoxyphenyl)-2-{[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID L98RR92PXIn
InChI InChI=1S/C23H22N4O3S/c1-2-29-19-12-10-18(11-13-19)24-21(28)16-31-23-26-25-22(17-7-4-3-5-8-17)27(23)15-20-9-6-14-30-20/h3-14H,2,15-16H2,1H3,(H,24,28)
InChIKey AWCDSTNPTDTIED-UHFFFAOYSA-N
Mol Weight 434.51 g/mol
Molecular Formula C23H22N4O3S
Exact Mass 434.141262 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 7kr3nunk4Ur
Name N-(4-Ethoxyphenyl)-2-{[4-(2-furylmethyl)-5-phenyl-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 434.141261755 u
Formula C23H22N4O3S
InChI InChI=1S/C23H22N4O3S/c1-2-29-19-12-10-18(11-13-19)24-21(28)16-31-23-26-25-22(17-7-4-3-5-8-17)27(23)15-20-9-6-14-30-20/h3-14H,2,15-16H2,1H3,(H,24,28)
InChIKey AWCDSTNPTDTIED-UHFFFAOYSA-N
Molecular Weight 434.514 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC=CC1)CC=1OC=CC1)=O)C=1C=CC(=CC1)OCC