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

SpectraBase Compound ID	4nl3eZgVFp9
InChI	InChI=1S/C19H19ClN8O2S/c20-13-6-8-14(9-7-13)31-11-15-16(23-27-28(15)18-17(21)25-30-26-18)19(29)24-22-10-12-4-2-1-3-5-12/h1-2,6-10,12H,3-5,11H2,(H2,21,25)(H,24,29)/b22-10+
InChIKey	PMCSTNPPGMYAIE-LSHDLFTRSA-N Google Search
Mol Weight	458.93 g/mol
Molecular Formula	C19H19ClN8O2S
Exact Mass	458.104021 g/mol

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SpectraBase Spectrum ID	JfhMMreZFlh
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-3-cyclohexen-1-ylmethylidene]-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/C19H19ClN8O2S/c20-13-6-8-14(9-7-13)31-11-15-16(23-27-28(15)18-17(21)25-30-26-18)19(29)24-22-10-12-4-2-1-3-5-12/h1-2,6-10,12H,3-5,11H2,(H2,21,25)(H,24,29)/b22-10+
InChIKey	PMCSTNPPGMYAIE-LSHDLFTRSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13118
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: D79986; Labnumber: NIG2-0429; SBI_ID: SBI-013121
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[3-cyclohexen-1-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	315 °C