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

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1-(4-chlorophenyl)-2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
SpectraBase Compound ID GhP0fyUpjLF
InChI InChI=1S/C24H21ClN4O2S/c1-31-21-13-11-19(12-14-21)26-15-23-27-28-24(29(23)20-5-3-2-4-6-20)32-16-22(30)17-7-9-18(25)10-8-17/h2-14,26H,15-16H2,1H3
InChIKey RGLUVZZRJHMXIF-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 K626gKvcY0c
Name 1-(4-Chlorophenyl)-2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
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/c1-31-21-13-11-19(12-14-21)26-15-23-27-28-24(29(23)20-5-3-2-4-6-20)32-16-22(30)17-7-9-18(25)10-8-17/h2-14,26H,15-16H2,1H3
InChIKey RGLUVZZRJHMXIF-UHFFFAOYSA-N
Molecular Weight 464.971 g/mol
SMILES N(CC=1N(C(=NN1)SCC(C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1)C1=CC=C(C=C1)OC