2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide

SpectraBase Compound ID	DjCfpDqKBEg
InChI	InChI=1S/C26H21F3N4O2S2/c27-26(28,29)17-12-10-16(11-13-17)14-30-32-21(34)15-36-25-31-23-22(19-8-4-5-9-20(19)37-23)24(35)33(25)18-6-2-1-3-7-18/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,32,34)/b30-14+
InChIKey	WCTXERXUHDIUJI-AMVVHIIESA-N Google Search
Mol Weight	542.6 g/mol
Molecular Formula	C26H21F3N4O2S2
Exact Mass	542.105803 g/mol

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SpectraBase Spectrum ID	DFEdrqTAbUX
Name	2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
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/C26H21F3N4O2S2/c27-26(28,29)17-12-10-16(11-13-17)14-30-32-21(34)15-36-25-31-23-22(19-8-4-5-9-20(19)37-23)24(35)33(25)18-6-2-1-3-7-18/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,32,34)/b30-14+
InChIKey	WCTXERXUHDIUJI-AMVVHIIESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16729
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: D24367; Labnumber: GRES-02345; SBI_ID: SBI-016732
Synonyms	2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Temperature	318 °C