3-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester

SpectraBase Compound ID	ELwjC0VOsnw
InChI	InChI=1S/C24H21N3O3S/c1-29-21-13-11-18(12-14-21)22-25-26-24(27(22)20-9-4-3-5-10-20)31-16-17-7-6-8-19(15-17)23(28)30-2/h3-15H,16H2,1-2H3
InChIKey	SHKIUFUZNMXLAC-UHFFFAOYSA-N Google Search
Mol Weight	431.51 g/mol
Molecular Formula	C24H21N3O3S
Exact Mass	431.130363 g/mol

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SpectraBase Spectrum ID	GCGYpdvZVh7
Name	3-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	431.130362719 u
Formula	C24H21N3O3S
InChI	InChI=1S/C24H21N3O3S/c1-29-21-13-11-18(12-14-21)22-25-26-24(27(22)20-9-4-3-5-10-20)31-16-17-7-6-8-19(15-17)23(28)30-2/h3-15H,16H2,1-2H3
InChIKey	SHKIUFUZNMXLAC-UHFFFAOYSA-N
Molecular Weight	431.510 g/mol
SMILES	C1=CC=C(N2C(=NN=C2SCC2=CC(C(=O)OC)=CC=C2)C=2C=CC(=CC2)OC)C=C1