(6E)-2-(benzylsulfanyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	1QLiV68RHBC
InChI	InChI=1S/C25H20FN5OS2/c1-15-11-18(16(2)30(15)20-10-6-9-19(26)13-20)12-21-22(27)31-24(28-23(21)32)34-25(29-31)33-14-17-7-4-3-5-8-17/h3-13,27H,14H2,1-2H3/b21-12+,27-22?
InChIKey	YJJXLQPWCZYJKY-AXZYZTBISA-N Google Search
Mol Weight	489.59 g/mol
Molecular Formula	C25H20FN5OS2
Exact Mass	489.109331 g/mol

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SpectraBase Spectrum ID	CvrWSoWKEoW
Name	(6E)-2-(benzylsulfanyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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/C25H20FN5OS2/c1-15-11-18(16(2)30(15)20-10-6-9-19(26)13-20)12-21-22(27)31-24(28-23(21)32)34-25(29-31)33-14-17-7-4-3-5-8-17/h3-13,27H,14H2,1-2H3/b21-12+,27-22?
InChIKey	YJJXLQPWCZYJKY-AXZYZTBISA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_24506
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: D46713; Labnumber: CEP4-1829; SBI_ID: SBI-024510
Synonyms	2-(benzylsulfanyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C