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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID 4J6SEugDp5D
InChI InChI=1S/C25H24N4O3S/c1-3-29-24(18-9-13-20(31-2)14-10-18)27-28-25(29)33-17-23(30)26-19-11-15-22(16-12-19)32-21-7-5-4-6-8-21/h4-16H,3,17H2,1-2H3,(H,26,30)
InChIKey NWGGLEBIKHOXLZ-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C25H24N4O3S
Exact Mass 460.156912 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 GJvJBiIo5Ue
Name 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.156911820 u
Formula C25H24N4O3S
InChI InChI=1S/C25H24N4O3S/c1-3-29-24(18-9-13-20(31-2)14-10-18)27-28-25(29)33-17-23(30)26-19-11-15-22(16-12-19)32-21-7-5-4-6-8-21/h4-16H,3,17H2,1-2H3,(H,26,30)
InChIKey NWGGLEBIKHOXLZ-UHFFFAOYSA-N
Molecular Weight 460.552 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O)C1=CC=C(OC2=CC=CC=C2)C=C1