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

SpectraBase Compound ID	EdAxZeYZtg9
InChI	InChI=1S/C27H27N3OS/c1-19-12-10-11-15-23(19)18-30-21(3)25(20(2)29-30)28-27(31)26(22-13-6-4-7-14-22)32-24-16-8-5-9-17-24/h4-17,26H,18H2,1-3H3,(H,28,31)
InChIKey	DJQKWFUQOLFMJH-UHFFFAOYSA-N Google Search
Mol Weight	441.59 g/mol
Molecular Formula	C27H27N3OS
Exact Mass	441.187484 g/mol

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SpectraBase Spectrum ID	LM0QZc0vDhw
Name	N-[3,5-Dimethyl-1-(2-methylbenzyl)-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	441.187483674 u
Formula	C27H27N3OS
InChI	InChI=1S/C27H27N3OS/c1-19-12-10-11-15-23(19)18-30-21(3)25(20(2)29-30)28-27(31)26(22-13-6-4-7-14-22)32-24-16-8-5-9-17-24/h4-17,26H,18H2,1-3H3,(H,28,31)
InChIKey	DJQKWFUQOLFMJH-UHFFFAOYSA-N
Molecular Weight	441.593 g/mol
SMILES	N(C1=C(N(N=C1C)CC=1C(C)=CC=CC1)C)C(C(SC1=CC=CC=C1)C=1C=CC=CC1)=O