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

SpectraBase Compound ID	FOV8kK9d3KY
InChI	InChI=1S/C21H21N9O2S/c1-29(2)15-10-8-14(9-11-15)12-23-25-21(31)18-17(13-33-16-6-4-3-5-7-16)30(28-24-18)20-19(22)26-32-27-20/h3-12H,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey	USVADCZLEOMMIO-FSJBWODESA-N Google Search
Mol Weight	463.52 g/mol
Molecular Formula	C21H21N9O2S
Exact Mass	463.153892 g/mol

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SpectraBase Spectrum ID	2rXIe3PLd4T
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-[(phenylsulfanyl)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/C21H21N9O2S/c1-29(2)15-10-8-14(9-11-15)12-23-25-21(31)18-17(13-33-16-6-4-3-5-7-16)30(28-24-18)20-19(22)26-32-27-20/h3-12H,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey	USVADCZLEOMMIO-FSJBWODESA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3644
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: D37571; Labnumber: NIG1-3486; SBI_ID: SBI-003646
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{[4-(dimethylamino)phenyl]methylidene}-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	315 °C