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N-{(Z)-1-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]ethenyl}-4-methylbenzamide
SpectraBase Compound ID IjS8gibvhBx
InChI InChI=1S/C28H26N4O4S2/c1-19-9-11-20(12-10-19)27(33)30-24(28(34)29-22-13-15-38(35,36)18-22)16-21-17-32(23-6-3-2-4-7-23)31-26(21)25-8-5-14-37-25/h2-12,14,16-17,22H,13,15,18H2,1H3,(H,29,34)(H,30,33)/b24-16-
InChIKey WCABXMDYVIKCEM-JLPGSUDCSA-N
Mol Weight 546.66 g/mol
Molecular Formula C28H26N4O4S2
Exact Mass 546.139548 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4AvOqfTf9Ks
Name N-{(Z)-1-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]ethenyl}-4-methylbenzamide
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/C28H26N4O4S2/c1-19-9-11-20(12-10-19)27(33)30-24(28(34)29-22-13-15-38(35,36)18-22)16-21-17-32(23-6-3-2-4-7-23)31-26(21)25-8-5-14-37-25/h2-12,14,16-17,22H,13,15,18H2,1H3,(H,29,34)(H,30,33)/b24-16-
InChIKey WCABXMDYVIKCEM-JLPGSUDCSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10855
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: 142216; Labnumber: EX00133372; VK_ID: VK-010859
Synonyms N-{1-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-2-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]ethenyl}-4-methylbenzamide
Temperature 308 °C