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

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N-(4-methoxyphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Cg5KdmorYbs
InChI InChI=1S/C24H22N4O3S/c1-30-20-12-8-17(9-13-20)23-26-27-24(28(23)19-6-4-3-5-7-19)32-16-22(29)25-18-10-14-21(31-2)15-11-18/h3-15H,16H2,1-2H3,(H,25,29)
InChIKey DWDBGBNWQFMBLY-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C24H22N4O3S
Exact Mass 446.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DMO916eL01
Name N-(4-Methoxyphenyl)-2-{[5-(4-methoxyphenyl)-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 446.141261755 u
Formula C24H22N4O3S
InChI InChI=1S/C24H22N4O3S/c1-30-20-12-8-17(9-13-20)23-26-27-24(28(23)19-6-4-3-5-7-19)32-16-22(29)25-18-10-14-21(31-2)15-11-18/h3-15H,16H2,1-2H3,(H,25,29)
InChIKey DWDBGBNWQFMBLY-UHFFFAOYSA-N
Molecular Weight 446.525 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C=1C=CC=CC1)=O)C=1C=CC(=CC1)OC