N-(2,3-dimethylphenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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 Google Search
Mol Weight	444.55 g/mol
Molecular Formula	C25H24N4O2S
Exact Mass	444.161997 g/mol

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SpectraBase Spectrum ID	BdfXSyE7YA1
Name	N-(2,3-Dimethylphenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	444.161997201 u
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	C=1(N(C(SCC(NC2=C(C(C)=CC=C2)C)=O)=NN1)C1=CC=CC=C1)C(C=1C=CC=CC1)O