ethyl 4-cyano-5-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methyl-2-thiophenecarboxylate

SpectraBase Compound ID	CCiTwvF8ePD
InChI	InChI=1S/C20H17FN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3/b16-10-
InChIKey	LOJZNSHHXKXXMH-YBEGLDIGSA-N Google Search
Mol Weight	412.44 g/mol
Molecular Formula	C20H17FN4O3S
Exact Mass	412.10054 g/mol

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SpectraBase Spectrum ID	4eOrtxVnEyB
Name	ethyl 4-cyano-5-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methyl-2-thiophenecarboxylate
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/C20H17FN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3/b16-10-
InChIKey	LOJZNSHHXKXXMH-YBEGLDIGSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_5095
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: UZI/8131419; Labnumber: BMW-131934T; UZI_ID: UZI-005097
Synonyms	ethyl 4-cyano-5-({[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methyl-2-thiophenecarboxylate
Temperature	308 °C