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1-Ethanone, 1-(2-hydroxy-5-methylphenyl)-2-[[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID FbZVkaQbema
InChI InChI=1S/C23H20N4O2S/c1-16-12-13-20(28)19(14-16)21(29)15-30-23-26-25-22(24-17-8-4-2-5-9-17)27(23)18-10-6-3-7-11-18/h2-14,28H,15H2,1H3,(H,24,25)
InChIKey YCAWYULATSGHDE-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C23H20N4O2S
Exact Mass 416.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87Few7HI2sj
Name 1-Ethanone, 1-(2-hydroxy-5-methylphenyl)-2-[[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N4O2S
InChI InChI=1S/C23H20N4O2S/c1-16-12-13-20(28)19(14-16)21(29)15-30-23-26-25-22(24-17-8-4-2-5-9-17)27(23)18-10-6-3-7-11-18/h2-14,28H,15H2,1H3,(H,24,25)
InChIKey YCAWYULATSGHDE-UHFFFAOYSA-N
Molecular Weight 416.499 g/mol
SMILES N(c1[n](c(SCC(c2cc(ccc2O)C)=O)nn1)-c1ccccc1)c1ccccc1
SPLASH splash10-00pu-9840000000-37367ff660bd60308b7b
Source of Spectrum IY-1-4489-3
Synonyms 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-hydroxy-5-methylphenyl)ethanone 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-hydroxy-5-methylphenyl)ethanone 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-hydroxy-5-methyl-phenyl)ethanone 1-(5-Methyl-2-oxidanyl-phenyl)-2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Wiley ID 1652876