(6E)-2-(ethylsulfanyl)-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	6XG8KET9M41
InChI	InChI=1S/C20H18FN5OS2/c1-4-28-20-24-26-17(22)16(18(27)23-19(26)29-20)9-13-8-11(2)25(12(13)3)15-7-5-6-14(21)10-15/h5-10,22H,4H2,1-3H3/b16-9+,22-17?
InChIKey	FEBBGZCVCCPFOB-VPOOPXLYSA-N Google Search
Mol Weight	427.52 g/mol
Molecular Formula	C20H18FN5OS2
Exact Mass	427.093681 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	1IjKKicNDHa
Name	(6E)-2-(ethylsulfanyl)-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/C20H18FN5OS2/c1-4-28-20-24-26-17(22)16(18(27)23-19(26)29-20)9-13-8-11(2)25(12(13)3)15-7-5-6-14(21)10-15/h5-10,22H,4H2,1-3H3/b16-9+,22-17?
InChIKey	FEBBGZCVCCPFOB-VPOOPXLYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4147
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: E01050; Labnumber: CEP4-0987; SBI_ID: SBI-004149
Synonyms	2-(ethylsulfanyl)-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