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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

N-(4-chloro-2-methylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID FsJOzhuivxT
InChI InChI=1S/C20H21ClN4O2S/c1-3-25-18(12-27-16-7-5-4-6-8-16)23-24-20(25)28-13-19(26)22-17-10-9-15(21)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey DFHXXGXLCFKCNY-UHFFFAOYSA-N
Mol Weight 416.93 g/mol
Molecular Formula C20H21ClN4O2S
Exact Mass 416.107375 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 HbXlE6kkWvA
Name N-(4-Chloro-2-methylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-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 416.107374804 u
Formula C20H21ClN4O2S
InChI InChI=1S/C20H21ClN4O2S/c1-3-25-18(12-27-16-7-5-4-6-8-16)23-24-20(25)28-13-19(26)22-17-10-9-15(21)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey DFHXXGXLCFKCNY-UHFFFAOYSA-N
Molecular Weight 416.927 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC=1C=CC=CC1)CC)=O)C1=C(C=C(C=C1)Cl)C