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

*Links on SpectraBase are not permalinks.

N-[1,1'-biphenyl]-2-yl-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-[1,1'-biphenyl]-2-yl-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID HCq1DL4fHHj
InChI InChI=1S/C30H26N4O2S/c1-2-36-25-19-17-24(18-20-25)34-29(23-13-7-4-8-14-23)32-33-30(34)37-21-28(35)31-27-16-10-9-15-26(27)22-11-5-3-6-12-22/h3-20H,2,21H2,1H3,(H,31,35)
InChIKey KAFVMSJMSRFWGP-UHFFFAOYSA-N
Mol Weight 506.62 g/mol
Molecular Formula C30H26N4O2S
Exact Mass 506.177647 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 C326mn4ruWu
Name N-[1,1'-Biphenyl]-2-yl-2-{[4-(4-ethoxyphenyl)-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 506.177647265 u
Formula C30H26N4O2S
InChI InChI=1S/C30H26N4O2S/c1-2-36-25-19-17-24(18-20-25)34-29(23-13-7-4-8-14-23)32-33-30(34)37-21-28(35)31-27-16-10-9-15-26(27)22-11-5-3-6-12-22/h3-20H,2,21H2,1H3,(H,31,35)
InChIKey KAFVMSJMSRFWGP-UHFFFAOYSA-N
Molecular Weight 506.624 g/mol
SMILES N(C1=C(C2=CC=CC=C2)C=CC=C1)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C1=CC=C(C=C1)OCC)=O