N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-phenyl-2-(phenylsulfanyl)acetamide

SpectraBase Compound ID	7tX0bH9ctIG
InChI	InChI=1S/C26H23Cl2N3OS/c1-17-24(18(2)31(30-17)16-21-22(27)14-9-15-23(21)28)29-26(32)25(19-10-5-3-6-11-19)33-20-12-7-4-8-13-20/h3-15,25H,16H2,1-2H3,(H,29,32)
InChIKey	ORMXKXIFZDWZKB-UHFFFAOYSA-N Google Search
Mol Weight	496.46 g/mol
Molecular Formula	C26H23Cl2N3OS
Exact Mass	495.093889 g/mol

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SpectraBase Spectrum ID	KZbwRoDJN98
Name	N-[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-phenyl-2-(phenylsulfanyl)acetamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	495.093888946 u
Formula	C26H23Cl2N3OS
InChI	InChI=1S/C26H23Cl2N3OS/c1-17-24(18(2)31(30-17)16-21-22(27)14-9-15-23(21)28)29-26(32)25(19-10-5-3-6-11-19)33-20-12-7-4-8-13-20/h3-15,25H,16H2,1-2H3,(H,29,32)
InChIKey	ORMXKXIFZDWZKB-UHFFFAOYSA-N
Molecular Weight	496.456 g/mol
SMILES	N(C1=C(N(N=C1C)CC=1C(Cl)=CC=CC1Cl)C)C(C(SC1=CC=CC=C1)C=1C=CC=CC1)=O