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

View entire compound with spectra: 2 NMR

N-(4-acetylphenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID BoSFXmDRYKh
InChI InChI=1S/C25H22N4O3S/c1-18(30)19-12-14-20(15-13-19)26-24(31)17-33-25-28-27-23(16-32-22-10-6-3-7-11-22)29(25)21-8-4-2-5-9-21/h2-15H,16-17H2,1H3,(H,26,31)
InChIKey PZOZQESHMPCMTI-UHFFFAOYSA-N
Mol Weight 458.54 g/mol
Molecular Formula C25H22N4O3S
Exact Mass 458.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7kFNTcKX2pX
Name N-(4-Acetylphenyl)-2-{[5-(phenoxymethyl)-4-phenyl-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 458.141261755 u
Formula C25H22N4O3S
InChI InChI=1S/C25H22N4O3S/c1-18(30)19-12-14-20(15-13-19)26-24(31)17-33-25-28-27-23(16-32-22-10-6-3-7-11-22)29(25)21-8-4-2-5-9-21/h2-15H,16-17H2,1H3,(H,26,31)
InChIKey PZOZQESHMPCMTI-UHFFFAOYSA-N
Molecular Weight 458.536 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=CC=C1)C1=CC=CC=C1)=O)C=1C=CC(C(=O)C)=CC1