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

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N-(4-ethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 3a9KG8I266
InChI InChI=1S/C26H26N4O3S/c1-3-32-23-15-11-20(12-16-23)27-25(31)18-34-26-29-28-24(17-33-22-7-5-4-6-8-22)30(26)21-13-9-19(2)10-14-21/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChIKey FIEXOLJORPPDKL-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 KgySGIlxzSq
Name N-(4-Ethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/c1-3-32-23-15-11-20(12-16-23)27-25(31)18-34-26-29-28-24(17-33-22-7-5-4-6-8-22)30(26)21-13-9-19(2)10-14-21/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChIKey FIEXOLJORPPDKL-UHFFFAOYSA-N
Molecular Weight 474.579 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC=1C=CC=CC1)C1=CC=C(C=C1)C)=O)C=1C=CC(=CC1)OCC