2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4(3H)-quinazolinone

SpectraBase Compound ID	2oS5Zu09XtY
InChI	InChI=1S/C23H22ClFN4OS/c1-15-12-16(2)29(27-15)11-5-10-28-22(30)19-6-3-4-7-21(19)26-23(28)31-14-17-8-9-18(25)13-20(17)24/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3
InChIKey	DXILGPCCUWTQFS-UHFFFAOYSA-N Google Search
Mol Weight	456.97 g/mol
Molecular Formula	C23H22ClFN4OS
Exact Mass	456.118688 g/mol

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SpectraBase Spectrum ID	8ROquV0C98h
Name	2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4(3H)-quinazolinone
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C23H22ClFN4OS/c1-15-12-16(2)29(27-15)11-5-10-28-22(30)19-6-3-4-7-21(19)26-23(28)31-14-17-8-9-18(25)13-20(17)24/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3
InChIKey	DXILGPCCUWTQFS-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_30785
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 1727779; SBI_ID: SBI-030789
Temperature	318 °C