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

View entire compound with spectra: 2 NMR

2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
SpectraBase Compound ID Im1UGGUXniD
InChI InChI=1S/C24H21ClN4O2S/c1-2-31-21-11-7-6-10-20(21)26-22(30)16-32-24-28-27-23(17-8-4-3-5-9-17)29(24)19-14-12-18(25)13-15-19/h3-15H,2,16H2,1H3,(H,26,30)
InChIKey ZHRNTUVRGIAAFC-UHFFFAOYSA-N
Mol Weight 464.97 g/mol
Molecular Formula C24H21ClN4O2S
Exact Mass 464.107375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAsNp56tf5P
Name 2-{[4-(4-Chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.107374804 u
Formula C24H21ClN4O2S
InChI InChI=1S/C24H21ClN4O2S/c1-2-31-21-11-7-6-10-20(21)26-22(30)16-32-24-28-27-23(17-8-4-3-5-9-17)29(24)19-14-12-18(25)13-15-19/h3-15H,2,16H2,1H3,(H,26,30)
InChIKey ZHRNTUVRGIAAFC-UHFFFAOYSA-N
Molecular Weight 464.971 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC=CC1)C=1C=CC(=CC1)Cl)=O)C1=C(OCC)C=CC=C1