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

View entire compound with spectra: 2 NMR

2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID Gu7Rc5LM5Up
InChI InChI=1S/C22H24N4O3S/c1-4-13-26-20(14-29-19-9-5-16(2)6-10-19)24-25-22(26)30-15-21(27)23-17-7-11-18(28-3)12-8-17/h4-12H,1,13-15H2,2-3H3,(H,23,27)
InChIKey WNFSMFUVVJXXAY-UHFFFAOYSA-N
Mol Weight 424.52 g/mol
Molecular Formula C22H24N4O3S
Exact Mass 424.156912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkdaifvIbze
Name 2-({4-Allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.156911820 u
Formula C22H24N4O3S
InChI InChI=1S/C22H24N4O3S/c1-4-13-26-20(14-29-19-9-5-16(2)6-10-19)24-25-22(26)30-15-21(27)23-17-7-11-18(28-3)12-8-17/h4-12H,1,13-15H2,2-3H3,(H,23,27)
InChIKey WNFSMFUVVJXXAY-UHFFFAOYSA-N
Molecular Weight 424.519 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)C)CC=C)=O)C=1C=CC(=CC1)OC