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

SpectraBase Compound ID	BB21wNiD9OU
InChI	InChI=1S/C25H30IN7OS/c1-4-15-33-23(17-27-21-11-9-20(26)10-12-21)29-31-25(33)35-18-24(34)30-28-16-19-7-13-22(14-8-19)32(5-2)6-3/h4,7-14,16,27H,1,5-6,15,17-18H2,2-3H3,(H,30,34)/b28-16+
InChIKey	YIHCWQSEMXQHAB-LQKURTRISA-N Google Search
Mol Weight	603.53 g/mol
Molecular Formula	C25H30IN7OS
Exact Mass	603.127725 g/mol

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SpectraBase Spectrum ID	1Q3iDt7FGTf
Name	2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-{(E)-[4-(diethylamino)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/C25H30IN7OS/c1-4-15-33-23(17-27-21-11-9-20(26)10-12-21)29-31-25(33)35-18-24(34)30-28-16-19-7-13-22(14-8-19)32(5-2)6-3/h4,7-14,16,27H,1,5-6,15,17-18H2,2-3H3,(H,30,34)/b28-16+
InChIKey	YIHCWQSEMXQHAB-LQKURTRISA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16338
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/8102672; UBI_ID: UBI-016341
Synonyms	2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-{[4-(diethylamino)phenyl]methylidene}acetohydrazide
Temperature	308 °C