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2-Benzylsulfonyl-4-phenyl-1-(2-phenyl-2-hydroxy-3-[1,2,4]triazol-1-yl)propylimidazole
SpectraBase Compound ID HirtdtaPx6F
InChI InChI=1S/C27H25N5O3S/c33-27(19-32-21-28-20-29-32,24-14-8-3-9-15-24)18-31-16-25(23-12-6-2-7-13-23)30-26(31)36(34,35)17-22-10-4-1-5-11-22/h1-16,20-21,33H,17-19H2
InChIKey FRMYKEYYUNKFEM-UHFFFAOYSA-N
Mol Weight 499.59 g/mol
Molecular Formula C27H25N5O3S
Exact Mass 499.167811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FW00CGQrlL0
Name 2-Benzylsulfonyl-4-phenyl-1-(2-phenyl-2-hydroxy-3-[1,2,4]triazol-1-yl)propylimidazole
Alternate Name(s) 1-[2-(benzylsulfonyl)-4-phenyl-1H-imidazol-1-yl]-2-phenyl-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N5O3S
InChI InChI=1S/C27H25N5O3S/c33-27(19-32-21-28-20-29-32,24-14-8-3-9-15-24)18-31-16-25(23-12-6-2-7-13-23)30-26(31)36(34,35)17-22-10-4-1-5-11-22/h1-16,20-21,33H,17-19H2
InChIKey FRMYKEYYUNKFEM-UHFFFAOYSA-N
Molecular Weight 499.589 g/mol
SMILES OC(C[n]1c(S(Cc2ccccc2)(=O)=O)nc(-c2ccccc2)c1)(C[n]1ncnc1)c1ccccc1
SPLASH splash10-0pi9-0900010000-f021cef46142642bc4a4
Source of Spectrum SO-0-1621-29
Wiley ID 877066