1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

SpectraBase Compound ID	9zqUHBdEpam
InChI	InChI=1S/C22H25N11O4S2/c1-13-25-28-22(39-13)38-12-15-9-14(3-4-17(15)35-2)10-24-27-21(34)18-16(11-32-5-7-36-8-6-32)33(31-26-18)20-19(23)29-37-30-20/h3-4,9-10H,5-8,11-12H2,1-2H3,(H2,23,29)(H,27,34)/b24-10+
InChIKey	HGKNCANBZZBRHD-YSURURNPSA-N Google Search
Mol Weight	571.64 g/mol
Molecular Formula	C22H25N11O4S2
Exact Mass	571.153241 g/mol

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SpectraBase Spectrum ID	7ilhpYGZuPM
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
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/C22H25N11O4S2/c1-13-25-28-22(39-13)38-12-15-9-14(3-4-17(15)35-2)10-24-27-21(34)18-16(11-32-5-7-36-8-6-32)33(31-26-18)20-19(23)29-37-30-20/h3-4,9-10H,5-8,11-12H2,1-2H3,(H2,23,29)(H,27,34)/b24-10+
InChIKey	HGKNCANBZZBRHD-YSURURNPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20371
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: D16626; Labnumber: NIG-3596; SBI_ID: SBI-020375
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(4-morpholinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C