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

SpectraBase Compound ID	5cbJTPl1wmn
InChI	InChI=1S/C22H21ClN8O2S/c1-13(2)15-5-3-14(4-6-15)11-25-27-22(32)19-18(12-34-17-9-7-16(23)8-10-17)31(30-26-19)21-20(24)28-33-29-21/h3-11,13H,12H2,1-2H3,(H2,24,28)(H,27,32)/b25-11+
InChIKey	XUVYUWIEBJWYDY-OPEKNORGSA-N Google Search
Mol Weight	496.98 g/mol
Molecular Formula	C22H21ClN8O2S
Exact Mass	496.119671 g/mol

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SpectraBase Spectrum ID	JmWxDvujLNT
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(4-isopropylphenyl)methylidene]-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/C22H21ClN8O2S/c1-13(2)15-5-3-14(4-6-15)11-25-27-22(32)19-18(12-34-17-9-7-16(23)8-10-17)31(30-26-19)21-20(24)28-33-29-21/h3-11,13H,12H2,1-2H3,(H2,24,28)(H,27,32)/b25-11+
InChIKey	XUVYUWIEBJWYDY-OPEKNORGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28079
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: D80297; Labnumber: NIG2-2135; SBI_ID: SBI-028083
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(4-isopropylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C