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

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2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
SpectraBase Compound ID 8RPk3j5bp0H
InChI InChI=1S/C22H24N4O3S/c1-4-14-26-21(16-10-6-8-12-18(16)28-3)24-25-22(26)30-15-20(27)23-17-11-7-9-13-19(17)29-5-2/h4,6-13H,1,5,14-15H2,2-3H3,(H,23,27)
InChIKey WSTYOYPSIFKZCT-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 5WIWuXugAla
Name 2-{[4-Allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)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/c1-4-14-26-21(16-10-6-8-12-18(16)28-3)24-25-22(26)30-15-20(27)23-17-11-7-9-13-19(17)29-5-2/h4,6-13H,1,5,14-15H2,2-3H3,(H,23,27)
InChIKey WSTYOYPSIFKZCT-UHFFFAOYSA-N
Molecular Weight 424.519 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=C(OC)C=CC=C1)CC=C)=O)C1=C(OCC)C=CC=C1