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2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone

View entire compound with spectra: 2 NMR

2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID 1sdLRgM68SV
InChI InChI=1S/C24H20ClN3O3S/c1-30-20-11-7-17(8-12-20)22(29)16-32-24-27-26-23(28(24)19-5-3-2-4-6-19)15-31-21-13-9-18(25)10-14-21/h2-14H,15-16H2,1H3
InChIKey VBEHSUPKQWIOAU-UHFFFAOYSA-N
Mol Weight 465.96 g/mol
Molecular Formula C24H20ClN3O3S
Exact Mass 465.09139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ExgZk54UMY
Name 2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.091390387 u
Formula C24H20ClN3O3S
InChI InChI=1S/C24H20ClN3O3S/c1-30-20-11-7-17(8-12-20)22(29)16-32-24-27-26-23(28(24)19-5-3-2-4-6-19)15-31-21-13-9-18(25)10-14-21/h2-14H,15-16H2,1H3
InChIKey VBEHSUPKQWIOAU-UHFFFAOYSA-N
Molecular Weight 465.955 g/mol
SMILES C1=CC=C(N2C(=NN=C2COC=2C=CC(Cl)=CC2)SCC(C=2C=CC(=CC2)OC)=O)C=C1