N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-2-phenyl-2-(phenylsulfanyl)acetamide

SpectraBase Compound ID	FibEyIn6Xs2
InChI	InChI=1S/C25H22ClN3OS/c1-18-16-23(28-29(18)17-19-12-14-21(26)15-13-19)27-25(30)24(20-8-4-2-5-9-20)31-22-10-6-3-7-11-22/h2-16,24H,17H2,1H3,(H,27,28,30)
InChIKey	NWXOQBAQXMLXDK-UHFFFAOYSA-N Google Search
Mol Weight	447.98 g/mol
Molecular Formula	C25H22ClN3OS
Exact Mass	447.117211 g/mol

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SpectraBase Spectrum ID	HCbifefwsYf
Name	N-[1-(4-Chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-2-phenyl-2-(phenylsulfanyl)acetamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	447.117211213 u
Formula	C25H22ClN3OS
InChI	InChI=1S/C25H22ClN3OS/c1-18-16-23(28-29(18)17-19-12-14-21(26)15-13-19)27-25(30)24(20-8-4-2-5-9-20)31-22-10-6-3-7-11-22/h2-16,24H,17H2,1H3,(H,27,28,30)
InChIKey	NWXOQBAQXMLXDK-UHFFFAOYSA-N
Molecular Weight	447.984 g/mol
SMILES	N(C1=NN(C(=C1)C)CC1=CC=C(Cl)C=C1)C(C(SC1=CC=CC=C1)C=1C=CC=CC1)=O