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

*Links on SpectraBase are not permalinks.

N-(3-chloro-2-methylphenyl)-2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(3-chloro-2-methylphenyl)-2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 14MbFHnNQYh
InChI InChI=1S/C25H22Cl2N4O3S/c1-16-21(27)4-3-5-22(16)28-24(32)15-35-25-30-29-23(14-34-20-10-6-17(26)7-11-20)31(25)18-8-12-19(33-2)13-9-18/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKey VWTDLTJZFXNHHW-UHFFFAOYSA-N
Mol Weight 529.44 g/mol
Molecular Formula C25H22Cl2N4O3S
Exact Mass 528.078967 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 8b2bxNErPaG
Name N-(3-Chloro-2-methylphenyl)-2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.078967155 u
Formula C25H22Cl2N4O3S
InChI InChI=1S/C25H22Cl2N4O3S/c1-16-21(27)4-3-5-22(16)28-24(32)15-35-25-30-29-23(14-34-20-10-6-17(26)7-11-20)31(25)18-8-12-19(33-2)13-9-18/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKey VWTDLTJZFXNHHW-UHFFFAOYSA-N
Molecular Weight 529.442 g/mol
SMILES N(C=1C(=C(Cl)C=CC1)C)C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)Cl)C=1C=CC(=CC1)OC)=O