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1-(2-Phenyl-2-hydroxy-3-[1,2,4]triazol-1-yl)propyl-2-benzylthio-4-phenylimidazole
SpectraBase Compound ID 40snkj7HFAf
InChI InChI=1S/C27H25N5OS/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)34-17-22-10-4-1-5-11-22/h1-16,20-21,33H,17-19H2
InChIKey LZOJFLGMMKDUTB-UHFFFAOYSA-N
Mol Weight 467.59 g/mol
Molecular Formula C27H25N5OS
Exact Mass 467.177982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBx7kWAmZeG
Name 1-(2-Phenyl-2-hydroxy-3-[1,2,4]triazol-1-yl)propyl-2-benzylthio-4-phenylimidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N5OS
InChI InChI=1S/C27H25N5OS/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)34-17-22-10-4-1-5-11-22/h1-16,20-21,33H,17-19H2
InChIKey LZOJFLGMMKDUTB-UHFFFAOYSA-N
Molecular Weight 467.591 g/mol
SMILES OC(C[n]1c(nc(-c2ccccc2)c1)SCc1ccccc1)(C[n]1ncnc1)c1ccccc1
SPLASH splash10-014i-0900500000-9c929fdf2a1fc034e87e
Source of Spectrum SO-0-1619-23
Synonyms 1-[2-(benzylsulfanyl)-4-phenyl-1H-imidazol-1-yl]-2-phenyl-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Wiley ID 876917