methyl 2-[({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate

SpectraBase Compound ID	DKH8CkC9aXw
InChI	InChI=1S/C20H21ClN4O2S2/c1-4-15-12(2)29-18(17(15)19(26)27-3)23-20(28)22-16-9-10-25(24-16)11-13-5-7-14(21)8-6-13/h5-10H,4,11H2,1-3H3,(H2,22,23,24,28)
InChIKey	KSHZAAAODBCOIN-UHFFFAOYSA-N Google Search
Mol Weight	448.99 g/mol
Molecular Formula	C20H21ClN4O2S2
Exact Mass	448.079446 g/mol

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SpectraBase Spectrum ID	5AX1UELnWOS
Name	methyl 2-[({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
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/C20H21ClN4O2S2/c1-4-15-12(2)29-18(17(15)19(26)27-3)23-20(28)22-16-9-10-25(24-16)11-13-5-7-14(21)8-6-13/h5-10H,4,11H2,1-3H3,(H2,22,23,24,28)
InChIKey	KSHZAAAODBCOIN-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_8109
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/1268367; Labnumber: COL6813; UZI_ID: UZI-008111
Temperature	318 °C