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N-(3-methylphenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID KVcK2xbD17J
InChI InChI=1S/C24H22N4O2S/c1-18-9-8-10-19(15-18)25-23(29)17-31-24-27-26-22(16-30-21-13-6-3-7-14-21)28(24)20-11-4-2-5-12-20/h2-15H,16-17H2,1H3,(H,25,29)
InChIKey QSTUOLLGCTZWAJ-UHFFFAOYSA-N
Mol Weight 430.53 g/mol
Molecular Formula C24H22N4O2S
Exact Mass 430.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zyLfgf22nY
Name N-(3-Methylphenyl)-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 430.146347136 u
Formula C24H22N4O2S
InChI InChI=1S/C24H22N4O2S/c1-18-9-8-10-19(15-18)25-23(29)17-31-24-27-26-22(16-30-21-13-6-3-7-14-21)28(24)20-11-4-2-5-12-20/h2-15H,16-17H2,1H3,(H,25,29)
InChIKey QSTUOLLGCTZWAJ-UHFFFAOYSA-N
Molecular Weight 430.526 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC=1C=CC=CC1)C1=CC=CC=C1)=O)C=1C=C(C)C=CC1