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

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N-(2,5-dichlorophenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 6rWIfkys87Q
InChI InChI=1S/C20H20Cl2N4O2S/c1-3-26-18(11-28-15-7-4-13(2)5-8-15)24-25-20(26)29-12-19(27)23-17-10-14(21)6-9-16(17)22/h4-10H,3,11-12H2,1-2H3,(H,23,27)
InChIKey ZNRPTKLTZSFVHY-UHFFFAOYSA-N
Mol Weight 451.37 g/mol
Molecular Formula C20H20Cl2N4O2S
Exact Mass 450.068402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lgl7tv1X8M1
Name N-(2,5-Dichlorophenyl)-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 450.068402472 u
Formula C20H20Cl2N4O2S
InChI InChI=1S/C20H20Cl2N4O2S/c1-3-26-18(11-28-15-7-4-13(2)5-8-15)24-25-20(26)29-12-19(27)23-17-10-14(21)6-9-16(17)22/h4-10H,3,11-12H2,1-2H3,(H,23,27)
InChIKey ZNRPTKLTZSFVHY-UHFFFAOYSA-N
Molecular Weight 451.372 g/mol
SMILES N(C=1C=C(Cl)C=CC1Cl)C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)C)CC)=O