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N-(4-bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(4-bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Fyuq2iwQf6S
InChI InChI=1S/C24H20BrClN4O2S/c1-15-12-17(25)6-11-21(15)27-22(31)14-33-24-29-28-23(16-4-3-5-20(13-16)32-2)30(24)19-9-7-18(26)8-10-19/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey MAFMPVCBQSNCRN-UHFFFAOYSA-N
Mol Weight 543.87 g/mol
Molecular Formula C24H20BrClN4O2S
Exact Mass 542.017888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fjfdeilg2OG
Name N-(4-Bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-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 542.017887772 u
Formula C24H20BrClN4O2S
InChI InChI=1S/C24H20BrClN4O2S/c1-15-12-17(25)6-11-21(15)27-22(31)14-33-24-29-28-23(16-4-3-5-20(13-16)32-2)30(24)19-9-7-18(26)8-10-19/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey MAFMPVCBQSNCRN-UHFFFAOYSA-N
Molecular Weight 543.867 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)C=1C=CC(=CC1)Cl)=O)C1=C(C=C(C=C1)Br)C