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

View entire compound with spectra: 1 NMR

ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FI56jPEjr02
InChI InChI=1S/C23H29ClN6O3S2/c1-5-13-8-9-14-16(10-13)35-21(18(14)22(32)33-7-3)25-17(31)12-34-23-27-26-20(30(23)6-2)19-15(24)11-29(4)28-19/h11,13H,5-10,12H2,1-4H3,(H,25,31)
InChIKey LCXXWMZQXSBPML-UHFFFAOYSA-N
Mol Weight 537.1 g/mol
Molecular Formula C23H29ClN6O3S2
Exact Mass 536.143109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gk530AP0XRB
Name ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-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/C23H29ClN6O3S2/c1-5-13-8-9-14-16(10-13)35-21(18(14)22(32)33-7-3)25-17(31)12-34-23-27-26-20(30(23)6-2)19-15(24)11-29(4)28-19/h11,13H,5-10,12H2,1-4H3,(H,25,31)
InChIKey LCXXWMZQXSBPML-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11439
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/1264094; Labnumber: NIV1265; UZI_ID: UZI-011441
Temperature 308 °C