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

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N-(4-sec-butylphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 7Jj30CiM3Gn
InChI InChI=1S/C24H30N4O2S/c1-5-18(4)19-9-11-20(12-10-19)25-23(29)16-31-24-27-26-22(28(24)6-2)15-30-21-13-7-17(3)8-14-21/h7-14,18H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKey UCONQMZJZRHSQR-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 4TWlZGAFijX
Name N-(4-sec-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/c1-5-18(4)19-9-11-20(12-10-19)25-23(29)16-31-24-27-26-22(28(24)6-2)15-30-21-13-7-17(3)8-14-21/h7-14,18H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKey UCONQMZJZRHSQR-UHFFFAOYSA-N
Molecular Weight 438.590 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)C)CC)=O)C=1C=CC(=CC1)C(CC)C