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

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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID KKw8tMTG6UO
InChI InChI=1S/C23H26N4O4S/c1-5-10-27-21(14-31-18-8-6-16(2)7-9-18)25-26-23(27)32-15-22(28)24-17-11-19(29-3)13-20(12-17)30-4/h5-9,11-13H,1,10,14-15H2,2-4H3,(H,24,28)
InChIKey VRHIHVGAYRWIJS-UHFFFAOYSA-N
Mol Weight 454.55 g/mol
Molecular Formula C23H26N4O4S
Exact Mass 454.167477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SRKXzTHBhl
Name 2-({4-Allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.167476503 u
Formula C23H26N4O4S
InChI InChI=1S/C23H26N4O4S/c1-5-10-27-21(14-31-18-8-6-16(2)7-9-18)25-26-23(27)32-15-22(28)24-17-11-19(29-3)13-20(12-17)30-4/h5-9,11-13H,1,10,14-15H2,2-4H3,(H,24,28)
InChIKey VRHIHVGAYRWIJS-UHFFFAOYSA-N
Molecular Weight 454.545 g/mol
SMILES N(C1=CC(OC)=CC(=C1)OC)C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)C)CC=C)=O