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

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2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID 9oXfhR7TGri
InChI InChI=1S/C26H26N4O3S/c1-3-30-24(17-32-21-13-9-19(2)10-14-21)28-29-26(30)34-18-25(31)27-20-11-15-23(16-12-20)33-22-7-5-4-6-8-22/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChIKey BZBMKTWGVXHVLP-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C26H26N4O3S
Exact Mass 474.172562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aS7gZImAnq
Name 2-({4-Ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.172561884 u
Formula C26H26N4O3S
InChI InChI=1S/C26H26N4O3S/c1-3-30-24(17-32-21-13-9-19(2)10-14-21)28-29-26(30)34-18-25(31)27-20-11-15-23(16-12-20)33-22-7-5-4-6-8-22/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChIKey BZBMKTWGVXHVLP-UHFFFAOYSA-N
Molecular Weight 474.579 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)C)CC)=O)C1=CC=C(OC2=CC=CC=C2)C=C1