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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

5-[2-(4-butoxyphenyl)-4-quinolinyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 4xydIIUrcC
InChI InChI=1S/C23H24N4OS/c1-3-5-14-28-17-12-10-16(11-13-17)21-15-19(18-8-6-7-9-20(18)24-21)22-25-26-23(29)27(22)4-2/h6-13,15H,3-5,14H2,1-2H3,(H,26,29)
InChIKey LFMRMCUXVXLUIG-UHFFFAOYSA-N
Mol Weight 404.53 g/mol
Molecular Formula C23H24N4OS
Exact Mass 404.167083 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 1FGAqPkkga1
Name 5-[2-(4-Butoxyphenyl)-4-quinolinyl]-4-ethyl-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 404.167082582 u
Formula C23H24N4OS
InChI InChI=1S/C23H24N4OS/c1-3-5-14-28-17-12-10-16(11-13-17)21-15-19(18-8-6-7-9-20(18)24-21)22-25-26-23(29)27(22)4-2/h6-13,15H,3-5,14H2,1-2H3,(H,26,29)
InChIKey LFMRMCUXVXLUIG-UHFFFAOYSA-N
Molecular Weight 404.532 g/mol
SMILES SC=1N(C(=NN1)C=1C=C(C2=CC=C(C=C2)OCCCC)N=C2C1C=CC=C2)CC