(5Z)-1-benzyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	DF9770wVCbR
InChI	InChI=1S/C25H23N3O2S/c1-16-9-11-21(12-10-16)28-17(2)13-20(18(28)3)14-22-23(29)26-25(31)27(24(22)30)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,26,29,31)/b22-14-
InChIKey	NGUGJTLHQJMJIA-HMAPJEAMSA-N Google Search
Mol Weight	429.54 g/mol
Molecular Formula	C25H23N3O2S
Exact Mass	429.151098 g/mol

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SpectraBase Spectrum ID	D2ClyhT1rqU
Name	(5Z)-1-benzyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-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/C25H23N3O2S/c1-16-9-11-21(12-10-16)28-17(2)13-20(18(28)3)14-22-23(29)26-25(31)27(24(22)30)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,26,29,31)/b22-14-
InChIKey	NGUGJTLHQJMJIA-HMAPJEAMSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13933
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: D91099; Labnumber: KKA-0212B-0731; SBI_ID: SBI-013936
Synonyms	1-benzyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C