9-(3,5-difluorophenyl)-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

SpectraBase Compound ID	fj0PRVBQU1
InChI	InChI=1S/C22H17F2N5O3S/c23-14-8-13(9-15(24)10-14)20-19-17(5-2-6-18(19)30)25-21-26-22(27-28(20)21)33-11-12-3-1-4-16(7-12)29(31)32/h1,3-4,7-10,20H,2,5-6,11H2,(H,25,26,27)
InChIKey	XGMOCZAUOYLZNV-UHFFFAOYSA-N Google Search
Mol Weight	469.47 g/mol
Molecular Formula	C22H17F2N5O3S
Exact Mass	469.102017 g/mol

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SpectraBase Spectrum ID	9QrsM1DRZNj
Name	9-(3,5-difluorophenyl)-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
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/C22H17F2N5O3S/c23-14-8-13(9-15(24)10-14)20-19-17(5-2-6-18(19)30)25-21-26-22(27-28(20)21)33-11-12-3-1-4-16(7-12)29(31)32/h1,3-4,7-10,20H,2,5-6,11H2,(H,25,26,27)
InChIKey	XGMOCZAUOYLZNV-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_35107
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: E83375; SBI_ID: SBI-035111
Temperature	298 °C