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

*Links on SpectraBase are not permalinks.

2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

View entire compound with spectra: 2 NMR

2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID AoUA0tW9sjE
InChI InChI=1S/C21H22N4O3S/c1-4-13-25-20(15-5-9-17(27-2)10-6-15)23-24-21(25)29-14-19(26)22-16-7-11-18(28-3)12-8-16/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey MZDWOYRSIQSEMV-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C21H22N4O3S
Exact Mass 410.141262 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 E1geojx1SSM
Name 2-{[4-Allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.141261755 u
Formula C21H22N4O3S
InChI InChI=1S/C21H22N4O3S/c1-4-13-25-20(15-5-9-17(27-2)10-6-15)23-24-21(25)29-14-19(26)22-16-7-11-18(28-3)12-8-16/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey MZDWOYRSIQSEMV-UHFFFAOYSA-N
Molecular Weight 410.492 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC=C)=O)C=1C=CC(=CC1)OC