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

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2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 3M8ICGW0tdu
InChI InChI=1S/C24H21ClN4O3S/c1-31-19-13-9-17(10-14-19)26-22(30)15-33-24-28-27-23(20-5-3-4-6-21(20)32-2)29(24)18-11-7-16(25)8-12-18/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey FALUQNNNISWHTI-UHFFFAOYSA-N
Mol Weight 480.97 g/mol
Molecular Formula C24H21ClN4O3S
Exact Mass 480.102289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rRo1kqvHjS
Name 2-{[4-(4-Chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.102289423 u
Formula C24H21ClN4O3S
InChI InChI=1S/C24H21ClN4O3S/c1-31-19-13-9-17(10-14-19)26-22(30)15-33-24-28-27-23(20-5-3-4-6-21(20)32-2)29(24)18-11-7-16(25)8-12-18/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey FALUQNNNISWHTI-UHFFFAOYSA-N
Molecular Weight 480.970 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=C(OC)C=CC=C1)C=1C=CC(=CC1)Cl)=O)C=1C=CC(=CC1)OC