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

*Links on SpectraBase are not permalinks.

ethyl (2E)-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl](phenylhydrazono)ethanoate

View entire compound with spectra: 2 NMR

ethyl (2E)-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl](phenylhydrazono)ethanoate
SpectraBase Compound ID AgNfLouoor6
InChI InChI=1S/C24H21N5O2S/c1-2-31-23(30)22(27-25-19-14-8-4-9-15-19)32-24-28-26-21(18-12-6-3-7-13-18)29(24)20-16-10-5-11-17-20/h3-17,25H,2H2,1H3/b27-22+
InChIKey PIRUPNNSVZWTTA-HPNDGRJYSA-N
Mol Weight 443.53 g/mol
Molecular Formula C24H21N5O2S
Exact Mass 443.141596 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 jjUTCAEAp1
Name Ethyl (2E)-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl](phenylhydrazono)ethanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.141596108 u
Formula C24H21N5O2S
InChI InChI=1S/C24H21N5O2S/c1-2-31-23(30)22(27-25-19-14-8-4-9-15-19)32-24-28-26-21(18-12-6-3-7-13-18)29(24)20-16-10-5-11-17-20/h3-17,25H,2H2,1H3/b27-22+
InChIKey PIRUPNNSVZWTTA-HPNDGRJYSA-N
Molecular Weight 443.525 g/mol
SMILES N(\N=C/(SC=1N(C(C=2C=CC=CC2)=NN1)C=1C=CC=CC1)C(=O)OCC)C1=CC=CC=C1