(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	BJwM5HPCF09
InChI	InChI=1S/C21H13ClFN3O2S/c22-13-3-7-15(8-4-13)25-11-1-2-17(25)12-18-19(27)24-21(29)26(20(18)28)16-9-5-14(23)6-10-16/h1-12H,(H,24,27,29)/b18-12-
InChIKey	AITYLPUKXUFSDL-PDGQHHTCSA-N Google Search
Mol Weight	425.87 g/mol
Molecular Formula	C21H13ClFN3O2S
Exact Mass	425.040104 g/mol

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SpectraBase Spectrum ID	ojU61AoFyj
Name	(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C21H13ClFN3O2S/c22-13-3-7-15(8-4-13)25-11-1-2-17(25)12-18-19(27)24-21(29)26(20(18)28)16-9-5-14(23)6-10-16/h1-12H,(H,24,27,29)/b18-12-
InChIKey	AITYLPUKXUFSDL-PDGQHHTCSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22813
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: D35842; Labnumber: SPDEM4-15314; SBI_ID: SBI-022817
Synonyms	5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C