5-[2-(3-butoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	9gyW4Fhrr4s
InChI	InChI=1S/C22H22N4OS/c1-3-4-12-27-16-9-7-8-15(13-16)20-14-18(21-24-25-22(28)26(21)2)17-10-5-6-11-19(17)23-20/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,28)
InChIKey	CIEONFASLGGETL-UHFFFAOYSA-N Google Search
Mol Weight	390.51 g/mol
Molecular Formula	C22H22N4OS
Exact Mass	390.151433 g/mol

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SpectraBase Spectrum ID	8DMnEaJ4aDX
Name	5-[2-(3-butoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazole-3-thiol
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/C22H22N4OS/c1-3-4-12-27-16-9-7-8-15(13-16)20-14-18(21-24-25-22(28)26(21)2)17-10-5-6-11-19(17)23-20/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,28)
InChIKey	CIEONFASLGGETL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_6860
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: UZI/1267459; Labnumber: COL3612; UZI_ID: UZI-006862
Synonyms	5-[2-(3-butoxyphenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature	306 °C