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acetamide, N-(2,3-dimethylphenyl)-2-[[5-(hydroxyphenylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID JMJryDs3PKK
InChI InChI=1S/C25H24N4O2S/c1-17-10-9-15-21(18(17)2)26-22(30)16-32-25-28-27-24(23(31)19-11-5-3-6-12-19)29(25)20-13-7-4-8-14-20/h3-15,23,31H,16H2,1-2H3,(H,26,30)
InChIKey BHZCURSSFGHQPU-UHFFFAOYSA-N
Mol Weight 444.55 g/mol
Molecular Formula C25H24N4O2S
Exact Mass 444.161997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lpxeLrU5xa
Name N-(2,3-dimethylphenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Alternate Name(s) N-(2,3-dimethylphenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide N-(2,3-dimethylphenyl)-2-[[5-[oxidanyl(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
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Formula C25H24N4O2S
InChI InChI=1S/C25H24N4O2S/c1-17-10-9-15-21(18(17)2)26-22(30)16-32-25-28-27-24(23(31)19-11-5-3-6-12-19)29(25)20-13-7-4-8-14-20/h3-15,23,31H,16H2,1-2H3,(H,26,30)
InChIKey BHZCURSSFGHQPU-UHFFFAOYSA-N
Molecular Weight 444.553 g/mol
SMILES N(c1c(c(C)ccc1)C)C(CSc1[n](c(C(c2ccccc2)O)nn1)-c1ccccc1)=O
SPLASH splash10-05bf-6910000000-cfbc86540360c1705335
Wiley ID 1447274