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ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

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ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 9YoBApTcHHf
InChI InChI=1S/C22H23ClN6O4S2/c1-5-32-21(31)17-12(2)13(3)35-20(17)24-16(30)11-34-22-26-25-19(18-15(23)10-28(4)27-18)29(22)9-14-7-6-8-33-14/h6-8,10H,5,9,11H2,1-4H3,(H,24,30)
InChIKey XAFMWHCPMZYCIO-UHFFFAOYSA-N
Mol Weight 535.04 g/mol
Molecular Formula C22H23ClN6O4S2
Exact Mass 534.091073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HexeAzG2EPW
Name ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-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/C22H23ClN6O4S2/c1-5-32-21(31)17-12(2)13(3)35-20(17)24-16(30)11-34-22-26-25-19(18-15(23)10-28(4)27-18)29(22)9-14-7-6-8-33-14/h6-8,10H,5,9,11H2,1-4H3,(H,24,30)
InChIKey XAFMWHCPMZYCIO-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11337
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/1030103; Labnumber: NIV1113; UZI_ID: UZI-011339
Temperature 308 °C