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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
SpectraBase Compound ID HcPXeBkS07V
InChI InChI=1S/C23H24Cl2N4OS/c1-5-12-29-21(15-6-8-16(9-7-15)23(2,3)4)27-28-22(29)31-14-20(30)26-19-13-17(24)10-11-18(19)25/h5-11,13H,1,12,14H2,2-4H3,(H,26,30)
InChIKey NOMMDAQBVYBSMP-UHFFFAOYSA-N
Mol Weight 475.44 g/mol
Molecular Formula C23H24Cl2N4OS
Exact Mass 474.104788 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 41DkH5VpVto
Name 2-{[4-Allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.104787982 u
Formula C23H24Cl2N4OS
InChI InChI=1S/C23H24Cl2N4OS/c1-5-12-29-21(15-6-8-16(9-7-15)23(2,3)4)27-28-22(29)31-14-20(30)26-19-13-17(24)10-11-18(19)25/h5-11,13H,1,12,14H2,2-4H3,(H,26,30)
InChIKey NOMMDAQBVYBSMP-UHFFFAOYSA-N
Molecular Weight 475.438 g/mol
SMILES N(C=1C=C(Cl)C=CC1Cl)C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)CC=C)=O