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

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N-(2,5-dichlorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID C1l1KVYrSOC
InChI InChI=1S/C23H18Cl2N4O2S/c24-16-11-12-19(25)20(13-16)26-22(30)15-32-23-28-27-21(14-31-18-9-5-2-6-10-18)29(23)17-7-3-1-4-8-17/h1-13H,14-15H2,(H,26,30)
InChIKey BUMRZHFFANAFSX-UHFFFAOYSA-N
Mol Weight 485.39 g/mol
Molecular Formula C23H18Cl2N4O2S
Exact Mass 484.052752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oFA9u8NsSE
Name N-(2,5-Dichlorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-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 484.052752408 u
Formula C23H18Cl2N4O2S
InChI InChI=1S/C23H18Cl2N4O2S/c24-16-11-12-19(25)20(13-16)26-22(30)15-32-23-28-27-21(14-31-18-9-5-2-6-10-18)29(23)17-7-3-1-4-8-17/h1-13H,14-15H2,(H,26,30)
InChIKey BUMRZHFFANAFSX-UHFFFAOYSA-N
Molecular Weight 485.389 g/mol
SMILES N(C1=C(Cl)C=CC(=C1)Cl)C(CSC=1N(C(=NN1)COC1=CC=CC=C1)C=1C=CC=CC1)=O