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

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2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
SpectraBase Compound ID GoOq4epITh8
InChI InChI=1S/C21H24N4O2S/c1-4-25-19(13-27-18-10-8-15(2)9-11-18)23-24-21(25)28-14-20(26)22-17-7-5-6-16(3)12-17/h5-12H,4,13-14H2,1-3H3,(H,22,26)
InChIKey OXDGYFUEZYLSOQ-UHFFFAOYSA-N
Mol Weight 396.51 g/mol
Molecular Formula C21H24N4O2S
Exact Mass 396.161997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HssWBG54Xi7
Name 2-({4-Ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.161997201 u
Formula C21H24N4O2S
InChI InChI=1S/C21H24N4O2S/c1-4-25-19(13-27-18-10-8-15(2)9-11-18)23-24-21(25)28-14-20(26)22-17-7-5-6-16(3)12-17/h5-12H,4,13-14H2,1-3H3,(H,22,26)
InChIKey OXDGYFUEZYLSOQ-UHFFFAOYSA-N
Molecular Weight 396.509 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)C)CC)=O)C=1C=C(C)C=CC1