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N-(4-methylphenyl)-2-({5-[(2-naphthyloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID FodV3z1pzr
InChI InChI=1S/C28H24N4O2S/c1-20-11-14-23(15-12-20)29-27(33)19-35-28-31-30-26(32(28)24-9-3-2-4-10-24)18-34-25-16-13-21-7-5-6-8-22(21)17-25/h2-17H,18-19H2,1H3,(H,29,33)
InChIKey VZYNJQJKZPSOGF-UHFFFAOYSA-N
Mol Weight 480.59 g/mol
Molecular Formula C28H24N4O2S
Exact Mass 480.161997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpvuIwaTs1j
Name N-(4-Methylphenyl)-2-({5-[(2-naphthyloxy)methyl]-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 480.161997201 u
Formula C28H24N4O2S
InChI InChI=1S/C28H24N4O2S/c1-20-11-14-23(15-12-20)29-27(33)19-35-28-31-30-26(32(28)24-9-3-2-4-10-24)18-34-25-16-13-21-7-5-6-8-22(21)17-25/h2-17H,18-19H2,1H3,(H,29,33)
InChIKey VZYNJQJKZPSOGF-UHFFFAOYSA-N
Molecular Weight 480.586 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=2C=CC=CC2C=C1)C1=CC=CC=C1)=O)C1=CC=C(C)C=C1