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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 8xEKyZbVWUm
InChI InChI=1S/C22H22ClF3N4OS/c1-21(2,3)14-7-5-13(6-8-14)19-28-29-20(30(19)4)32-12-18(31)27-17-11-15(22(24,25)26)9-10-16(17)23/h5-11H,12H2,1-4H3,(H,27,31)
InChIKey FQJJGRRWZDYKJT-UHFFFAOYSA-N
Mol Weight 482.95 g/mol
Molecular Formula C22H22ClF3N4OS
Exact Mass 482.115495 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 CN7SvvGA6bN
Name 2-{[5-(4-Tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.115494706 u
Formula C22H22ClF3N4OS
InChI InChI=1S/C22H22ClF3N4OS/c1-21(2,3)14-7-5-13(6-8-14)19-28-29-20(30(19)4)32-12-18(31)27-17-11-15(22(24,25)26)9-10-16(17)23/h5-11H,12H2,1-4H3,(H,27,31)
InChIKey FQJJGRRWZDYKJT-UHFFFAOYSA-N
Molecular Weight 482.953 g/mol
SMILES N(C1=CC(C(F)(F)F)=CC=C1Cl)C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)C)=O