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N-{(Z)-1-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-2-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}benzamide
SpectraBase Compound ID IMfupwzDjmM
InChI InChI=1S/C30H28N4O4S/c1-21-12-14-22(15-13-21)28-24(19-34(33-28)26-10-6-3-7-11-26)18-27(32-29(35)23-8-4-2-5-9-23)30(36)31-25-16-17-39(37,38)20-25/h2-15,18-19,25H,16-17,20H2,1H3,(H,31,36)(H,32,35)/b27-18-
InChIKey LEAUFOZCRZZJEZ-IMRQLAEWSA-N
Mol Weight 540.64 g/mol
Molecular Formula C30H28N4O4S
Exact Mass 540.183127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dk2BQYt1Xwk
Name N-{(Z)-1-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-2-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}benzamide
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/C30H28N4O4S/c1-21-12-14-22(15-13-21)28-24(19-34(33-28)26-10-6-3-7-11-26)18-27(32-29(35)23-8-4-2-5-9-23)30(36)31-25-16-17-39(37,38)20-25/h2-15,18-19,25H,16-17,20H2,1H3,(H,31,36)(H,32,35)/b27-18-
InChIKey LEAUFOZCRZZJEZ-IMRQLAEWSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10814
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: 142159; Labnumber: EX00133277; VK_ID: VK-010818
Synonyms N-{1-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-2-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}benzamide
Temperature 308 °C