methyl 2-[({[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	G6cZsYMIiQP
InChI	InChI=1S/C22H22ClFN4O2S2/c1-12-6-7-13-17(10-12)32-20(19(13)21(29)30-2)26-22(31)25-18-8-9-28(27-18)11-14-15(23)4-3-5-16(14)24/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,25,26,27,31)
InChIKey	GLMQQQZIHUIKIM-UHFFFAOYSA-N Google Search
Mol Weight	493.02 g/mol
Molecular Formula	C22H22ClFN4O2S2
Exact Mass	492.085674 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4IVnF3U9vQ4
Name	methyl 2-[({[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C22H22ClFN4O2S2/c1-12-6-7-13-17(10-12)32-20(19(13)21(29)30-2)26-22(31)25-18-8-9-28(27-18)11-14-15(23)4-3-5-16(14)24/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,25,26,27,31)
InChIKey	GLMQQQZIHUIKIM-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_8240
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/1268471; Labnumber: COL7236; UZI_ID: UZI-008242
Temperature	318 °C