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

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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-butylphenyl)acetamide
SpectraBase Compound ID 9b19Op5HiLw
InChI InChI=1S/C24H28N4O2S/c1-4-6-7-18-8-12-20(13-9-18)25-22(29)17-31-24-27-26-23(28(24)16-5-2)19-10-14-21(30-3)15-11-19/h5,8-15H,2,4,6-7,16-17H2,1,3H3,(H,25,29)
InChIKey CYQBTIOVVIGZQO-UHFFFAOYSA-N
Mol Weight 436.57 g/mol
Molecular Formula C24H28N4O2S
Exact Mass 436.193297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cv0H7ZhBPcj
Name 2-{[4-Allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-butylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.193297330 u
Formula C24H28N4O2S
InChI InChI=1S/C24H28N4O2S/c1-4-6-7-18-8-12-20(13-9-18)25-22(29)17-31-24-27-26-23(28(24)16-5-2)19-10-14-21(30-3)15-11-19/h5,8-15H,2,4,6-7,16-17H2,1,3H3,(H,25,29)
InChIKey CYQBTIOVVIGZQO-UHFFFAOYSA-N
Molecular Weight 436.574 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC=C)=O)C=1C=CC(=CC1)CCCC