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

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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
SpectraBase Compound ID HNCG2qJ7dRg
InChI InChI=1S/C21H23ClN4O2S/c1-4-26-19(12-28-17-10-8-16(22)9-11-17)24-25-21(26)29-13-20(27)23-18-7-5-6-14(2)15(18)3/h5-11H,4,12-13H2,1-3H3,(H,23,27)
InChIKey QHCOTNOZVOTUHX-UHFFFAOYSA-N
Mol Weight 430.95 g/mol
Molecular Formula C21H23ClN4O2S
Exact Mass 430.123025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zn4kj9bGpS
Name 2-({5-[(4-Chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.123024869 u
Formula C21H23ClN4O2S
InChI InChI=1S/C21H23ClN4O2S/c1-4-26-19(12-28-17-10-8-16(22)9-11-17)24-25-21(26)29-13-20(27)23-18-7-5-6-14(2)15(18)3/h5-11H,4,12-13H2,1-3H3,(H,23,27)
InChIKey QHCOTNOZVOTUHX-UHFFFAOYSA-N
Molecular Weight 430.954 g/mol
SMILES N(C=1C(=C(C)C=CC1)C)C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)Cl)CC)=O