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

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2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
SpectraBase Compound ID ClBqgbxzPAC
InChI InChI=1S/C23H28N4O2S/c1-6-27-21(16-10-12-17(13-11-16)23(2,3)4)25-26-22(27)30-15-20(28)24-18-8-7-9-19(14-18)29-5/h7-14H,6,15H2,1-5H3,(H,24,28)
InChIKey JMFFWHWRDVEGNE-UHFFFAOYSA-N
Mol Weight 424.56 g/mol
Molecular Formula C23H28N4O2S
Exact Mass 424.193297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaAtK7dSQWd
Name 2-{[5-(4-Tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.193297330 u
Formula C23H28N4O2S
InChI InChI=1S/C23H28N4O2S/c1-6-27-21(16-10-12-17(13-11-16)23(2,3)4)25-26-22(27)30-15-20(28)24-18-8-7-9-19(14-18)29-5/h7-14H,6,15H2,1-5H3,(H,24,28)
InChIKey JMFFWHWRDVEGNE-UHFFFAOYSA-N
Molecular Weight 424.563 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)CC)=O)C=1C=C(OC)C=CC1