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

View entire compound with spectra: 2 NMR

2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
SpectraBase Compound ID BeAnddyGC2j
InChI InChI=1S/C22H24N4O2S/c1-4-10-26-20(14-28-19-8-6-5-7-9-19)24-25-22(26)29-15-21(27)23-18-12-16(2)11-17(3)13-18/h4-9,11-13H,1,10,14-15H2,2-3H3,(H,23,27)
InChIKey NYPVQBACVWLKHX-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C22H24N4O2S
Exact Mass 408.161997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YNmkQdpcnO
Name 2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.161997201 u
Formula C22H24N4O2S
InChI InChI=1S/C22H24N4O2S/c1-4-10-26-20(14-28-19-8-6-5-7-9-19)24-25-22(26)29-15-21(27)23-18-12-16(2)11-17(3)13-18/h4-9,11-13H,1,10,14-15H2,2-3H3,(H,23,27)
InChIKey NYPVQBACVWLKHX-UHFFFAOYSA-N
Molecular Weight 408.520 g/mol
SMILES N(C1=CC(C)=CC(=C1)C)C(CSC=1N(C(=NN1)COC=1C=CC=CC1)CC=C)=O