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

*Links on SpectraBase are not permalinks.
N-[4-(aminosulfonyl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID E2Bz9pWiVR9
InChI InChI=1S/C25H25N5O5S2/c1-3-35-21-12-8-19(9-13-21)30-24(17-4-10-20(34-2)11-5-17)28-29-25(30)36-16-23(31)27-18-6-14-22(15-7-18)37(26,32)33/h4-15H,3,16H2,1-2H3,(H,27,31)(H2,26,32,33)
InChIKey UXLRDWOCFRJASL-UHFFFAOYSA-N
Mol Weight 539.63 g/mol
Molecular Formula C25H25N5O5S2
Exact Mass 539.129711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID Ey1egFsu3M2
Name N-[4-(Aminosulfonyl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-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 539.129711268 u
Formula C25H25N5O5S2
InChI InChI=1S/C25H25N5O5S2/c1-3-35-21-12-8-19(9-13-21)30-24(17-4-10-20(34-2)11-5-17)28-29-25(30)36-16-23(31)27-18-6-14-22(15-7-18)37(26,32)33/h4-15H,3,16H2,1-2H3,(H,27,31)(H2,26,32,33)
InChIKey UXLRDWOCFRJASL-UHFFFAOYSA-N
Molecular Weight 539.625 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OCC)=O)C1=CC=C(S(=O)(=O)N)C=C1