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

*Links on SpectraBase are not permalinks.

4-ethyl-5-[2-(3-propoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 2 NMR

4-ethyl-5-[2-(3-propoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7UinTuDWmgy
InChI InChI=1S/C22H22N4OS/c1-3-12-27-16-9-7-8-15(13-16)20-14-18(17-10-5-6-11-19(17)23-20)21-24-25-22(28)26(21)4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,28)
InChIKey CNWLSQHCOWUMBV-UHFFFAOYSA-N
Mol Weight 390.51 g/mol
Molecular Formula C22H22N4OS
Exact Mass 390.151433 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 HGmLQz9VBvL
Name 4-Ethyl-5-[2-(3-propoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.151432517 u
Formula C22H22N4OS
InChI InChI=1S/C22H22N4OS/c1-3-12-27-16-9-7-8-15(13-16)20-14-18(17-10-5-6-11-19(17)23-20)21-24-25-22(28)26(21)4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,28)
InChIKey CNWLSQHCOWUMBV-UHFFFAOYSA-N
Molecular Weight 390.505 g/mol
SMILES SC=1N(C(=NN1)C=1C=C(C=2C=C(OCCC)C=CC2)N=C2C1C=CC=C2)CC