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2-({4-allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

View entire compound with spectra: 2 NMR

2-({4-allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
SpectraBase Compound ID 9scAIsaeIEA
InChI InChI=1S/C24H22N4O2S/c1-2-14-28-22(16-30-21-13-12-18-8-6-7-9-19(18)15-21)26-27-24(28)31-17-23(29)25-20-10-4-3-5-11-20/h2-13,15H,1,14,16-17H2,(H,25,29)
InChIKey UDTAYYXQIZNECU-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 2kIScZ3MzZy
Name 2-({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
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/c1-2-14-28-22(16-30-21-13-12-18-8-6-7-9-19(18)15-21)26-27-24(28)31-17-23(29)25-20-10-4-3-5-11-20/h2-13,15H,1,14,16-17H2,(H,25,29)
InChIKey UDTAYYXQIZNECU-UHFFFAOYSA-N
Molecular Weight 430.526 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=2C=CC=CC2C=C1)CC=C)=O)C=1C=CC=CC1