N-{5-[2-((2E)-2-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide

SpectraBase Compound ID	HbcMbl4h5tl
InChI	InChI=1S/C27H23ClFN5O4S/c1-16-5-3-4-6-20(16)26(36)31-27-34-33-24(39-27)13-23(35)32-30-14-18-11-21(28)25(22(12-18)37-2)38-15-17-7-9-19(29)10-8-17/h3-12,14H,13,15H2,1-2H3,(H,32,35)(H,31,34,36)/b30-14+
InChIKey	OQMABNOKLGDHAW-AMVVHIIESA-N Google Search
Mol Weight	568.02 g/mol
Molecular Formula	C27H23ClFN5O4S
Exact Mass	567.114331 g/mol

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SpectraBase Spectrum ID	H0tnHBDaUf
Name	N-{5-[2-((2E)-2-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
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/C27H23ClFN5O4S/c1-16-5-3-4-6-20(16)26(36)31-27-34-33-24(39-27)13-23(35)32-30-14-18-11-21(28)25(22(12-18)37-2)38-15-17-7-9-19(29)10-8-17/h3-12,14H,13,15H2,1-2H3,(H,32,35)(H,31,34,36)/b30-14+
InChIKey	OQMABNOKLGDHAW-AMVVHIIESA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_7551
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: 127365; Labnumber: CEP2K-04154; VK_ID: VK-007555
Synonyms	N-{5-[2-(2-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
Temperature	315 °C