2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

SpectraBase Compound ID	2aQNrYV6cqf
InChI	InChI=1S/C21H20FIN6OS/c1-2-11-29-19(13-24-18-9-7-17(23)8-10-18)26-28-21(29)31-14-20(30)27-25-12-15-3-5-16(22)6-4-15/h2-10,12,24H,1,11,13-14H2,(H,27,30)/b25-12+
InChIKey	KTVCSSLDOFDMLY-BRJLIKDPSA-N Google Search
Mol Weight	550.39 g/mol
Molecular Formula	C21H20FIN6OS
Exact Mass	550.044804 g/mol

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SpectraBase Spectrum ID	HDaJwBmIvBG
Name	2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(4-fluorophenyl)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/C21H20FIN6OS/c1-2-11-29-19(13-24-18-9-7-17(23)8-10-18)26-28-21(29)31-14-20(30)27-25-12-15-3-5-16(22)6-4-15/h2-10,12,24H,1,11,13-14H2,(H,27,30)/b25-12+
InChIKey	KTVCSSLDOFDMLY-BRJLIKDPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16672
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/8163727; UBI_ID: UBI-016675
Synonyms	2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(4-fluorophenyl)methylidene]acetohydrazide
Temperature	318 °C