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

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N-(2-tert-butylphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 5a2TtYsPYh2
InChI InChI=1S/C24H30N4O2S/c1-6-28-21(15-30-18-13-11-17(2)12-14-18)26-27-23(28)31-16-22(29)25-20-10-8-7-9-19(20)24(3,4)5/h7-14H,6,15-16H2,1-5H3,(H,25,29)
InChIKey BUSIOGJCLHEMGK-UHFFFAOYSA-N
Mol Weight 438.59 g/mol
Molecular Formula C24H30N4O2S
Exact Mass 438.208947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vvlUu3r85u
Name N-(2-Tert-butylphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.208947394 u
Formula C24H30N4O2S
InChI InChI=1S/C24H30N4O2S/c1-6-28-21(15-30-18-13-11-17(2)12-14-18)26-27-23(28)31-16-22(29)25-20-10-8-7-9-19(20)24(3,4)5/h7-14H,6,15-16H2,1-5H3,(H,25,29)
InChIKey BUSIOGJCLHEMGK-UHFFFAOYSA-N
Molecular Weight 438.590 g/mol
SMILES N(C1=C(C(C)(C)C)C=CC=C1)C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)C)CC)=O