5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1Z)-N-(4-chlorophenyl)-2-oxopropanehydrazonothioate

SpectraBase Compound ID	QaX0m9oaXh
InChI	InChI=1S/C30H30ClN5O2S/c1-21(37)29(34-32-25-16-14-24(31)15-17-25)39-30-35-33-28(36(30)26-10-6-3-7-11-26)20-38-27-18-12-23(13-19-27)22-8-4-2-5-9-22/h3,6-7,10-19,22,32H,2,4-5,8-9,20H2,1H3/b34-29-
InChIKey	GGBNTAXFTYYXMH-BNIPGBBVSA-N Google Search
Mol Weight	560.12 g/mol
Molecular Formula	C30H30ClN5O2S
Exact Mass	559.180874 g/mol

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SpectraBase Spectrum ID	JskTd0tMy9f
Name	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1Z)-N-(4-chlorophenyl)-2-oxopropanehydrazonothioate
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/C30H30ClN5O2S/c1-21(37)29(34-32-25-16-14-24(31)15-17-25)39-30-35-33-28(36(30)26-10-6-3-7-11-26)20-38-27-18-12-23(13-19-27)22-8-4-2-5-9-22/h3,6-7,10-19,22,32H,2,4-5,8-9,20H2,1H3/b34-29-
InChIKey	GGBNTAXFTYYXMH-BNIPGBBVSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6241
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: 122804; Labnumber: SPGAL3-0011; VK_ID: VK-006244
Synonyms	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl N-(4-chlorophenyl)-2-oxopropanehydrazonothioate
Temperature	308 °C