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2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide
SpectraBase Compound ID LdCuJQAhqac
InChI InChI=1S/C23H26N4O2S/c1-5-13-27-22(18-11-8-12-19(14-18)29-4)25-26-23(27)30-15-20(28)24-21-16(3)9-7-10-17(21)6-2/h5,7-12,14H,1,6,13,15H2,2-4H3,(H,24,28)
InChIKey UJYCAUBJFOPAIC-UHFFFAOYSA-N
Mol Weight 422.55 g/mol
Molecular Formula C23H26N4O2S
Exact Mass 422.177647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLNsDG1qBYB
Name 2-[[4-Allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.177647265 u
Formula C23H26N4O2S
InChI InChI=1S/C23H26N4O2S/c1-5-13-27-22(18-11-8-12-19(14-18)29-4)25-26-23(27)30-15-20(28)24-21-16(3)9-7-10-17(21)6-2/h5,7-12,14H,1,6,13,15H2,2-4H3,(H,24,28)
InChIKey UJYCAUBJFOPAIC-UHFFFAOYSA-N
Molecular Weight 422.547 g/mol
SMILES CCC1=C(NC(CSC=2N(C(=NN2)C2=CC(OC)=CC=C2)CC=C)=O)C(=CC=C1)C