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

SpectraBase Compound ID	JeDVUqBSoMx
InChI	InChI=1S/C25H21N5O4S2/c31-21(28-26-14-16-7-6-10-18(13-16)30(33)34)15-35-25-27-23-22(19-11-4-5-12-20(19)36-23)24(32)29(25)17-8-2-1-3-9-17/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,28,31)/b26-14+
InChIKey	BGYCRFXUUDIROV-VULFUBBASA-N Google Search
Mol Weight	519.59 g/mol
Molecular Formula	C25H21N5O4S2
Exact Mass	519.103497 g/mol

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SpectraBase Spectrum ID	91U4p5ETsEa
Name	N'-[(E)-(3-nitrophenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]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/C25H21N5O4S2/c31-21(28-26-14-16-7-6-10-18(13-16)30(33)34)15-35-25-27-23-22(19-11-4-5-12-20(19)36-23)24(32)29(25)17-8-2-1-3-9-17/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,28,31)/b26-14+
InChIKey	BGYCRFXUUDIROV-VULFUBBASA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16707
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: D24318; Labnumber: GRES-02293; SBI_ID: SBI-016710
Synonyms	N'-[(3-nitrophenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Temperature	318 °C