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

SpectraBase Compound ID	59pSwVTzqq7
InChI	InChI=1S/C16H14ClN11O2S/c1-27-8-20-23-16(27)31-7-11-12(21-26-28(11)14-13(18)24-30-25-14)15(29)22-19-6-9-4-2-3-5-10(9)17/h2-6,8H,7H2,1H3,(H2,18,24)(H,22,29)/b19-6+
InChIKey	RELLJUMJLJSREX-KPSZGOFPSA-N Google Search
Mol Weight	459.88 g/mol
Molecular Formula	C16H14ClN11O2S
Exact Mass	459.074118 g/mol

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SpectraBase Spectrum ID	L5ekUQ2EjHd
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-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/C16H14ClN11O2S/c1-27-8-20-23-16(27)31-7-11-12(21-26-28(11)14-13(18)24-30-25-14)15(29)22-19-6-9-4-2-3-5-10(9)17/h2-6,8H,7H2,1H3,(H2,18,24)(H,22,29)/b19-6+
InChIKey	RELLJUMJLJSREX-KPSZGOFPSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28382
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: D81397; Labnumber: NIG2-0840; SBI_ID: SBI-028386
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2-chlorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	315 °C