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

*Links on SpectraBase are not permalinks.

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
SpectraBase Compound ID 8LaLqtvItK
InChI InChI=1S/C28H30N4OS/c1-19-10-9-11-20(2)25(19)29-24(33)18-34-27-31-30-26(32(27)23-12-7-6-8-13-23)21-14-16-22(17-15-21)28(3,4)5/h6-17H,18H2,1-5H3,(H,29,33)
InChIKey YFGZTYQMZCMZLM-UHFFFAOYSA-N
Mol Weight 470.64 g/mol
Molecular Formula C28H30N4OS
Exact Mass 470.214033 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 7AjHKsJydh6
Name 2-{[5-(4-Tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.214032775 u
Formula C28H30N4OS
InChI InChI=1S/C28H30N4OS/c1-19-10-9-11-20(2)25(19)29-24(33)18-34-27-31-30-26(32(27)23-12-7-6-8-13-23)21-14-16-22(17-15-21)28(3,4)5/h6-17H,18H2,1-5H3,(H,29,33)
InChIKey YFGZTYQMZCMZLM-UHFFFAOYSA-N
Molecular Weight 470.635 g/mol
SMILES N(C1=C(C=CC=C1C)C)C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)C1=CC=CC=C1)=O