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2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide

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2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
SpectraBase Compound ID EcfoJPgqXH2
InChI InChI=1S/C22H26N4O2S/c1-4-17-8-6-7-9-19(17)23-21(27)15-29-22-25-24-20(26(22)5-2)14-28-18-12-10-16(3)11-13-18/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKey PZGMFPHCXQLNBA-UHFFFAOYSA-N
Mol Weight 410.54 g/mol
Molecular Formula C22H26N4O2S
Exact Mass 410.177647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZxX0OWCeSx
Name 2-({4-Ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.177647265 u
Formula C22H26N4O2S
InChI InChI=1S/C22H26N4O2S/c1-4-17-8-6-7-9-19(17)23-21(27)15-29-22-25-24-20(26(22)5-2)14-28-18-12-10-16(3)11-13-18/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKey PZGMFPHCXQLNBA-UHFFFAOYSA-N
Molecular Weight 410.536 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)C)CC)=O)C1=C(CC)C=CC=C1