Ethyl 4-([3-(3-methoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl)-1-piperazinecarboxylate

SpectraBase Compound ID	4XysTIzYPZp
InChI	InChI=1S/C18H25N5O3S/c1-4-26-18(24)22-10-8-21(9-11-22)13-23-17(27)20(2)16(19-23)14-6-5-7-15(12-14)25-3/h5-7,12H,4,8-11,13H2,1-3H3
InChIKey	QUIUQSWLYWYKLN-UHFFFAOYSA-N Google Search
Mol Weight	391.49 g/mol
Molecular Formula	C18H25N5O3S
Exact Mass	391.167811 g/mol

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SpectraBase Spectrum ID	GGGl2jDnQ2M
Name	1-piperazinecarboxylic acid, 4-[[4,5-dihydro-3-(3-methoxyphenyl)-4-methyl-5-thioxo-1H-1,2,4-triazol-1-yl]methyl]-, ethyl ester
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/C18H25N5O3S/c1-4-26-18(24)22-10-8-21(9-11-22)13-23-17(27)20(2)16(19-23)14-6-5-7-15(12-14)25-3/h5-7,12H,4,8-11,13H2,1-3H3
InChIKey	QUIUQSWLYWYKLN-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6847
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: NMR/10300313; Labnumber: LP-2180478