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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one

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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID Kdei6bjXRhp
InChI InChI=1S/C26H22N4OS2/c1-17-7-11-19(12-8-17)27-15-21-23(16-32-20-13-9-18(2)10-14-20)29-30(25(21)31)26-28-22-5-3-4-6-24(22)33-26/h3-15,27H,16H2,1-2H3/b21-15+
InChIKey QGEGULHYFRGDSV-RCCKNPSSSA-N
Mol Weight 470.61 g/mol
Molecular Formula C26H22N4OS2
Exact Mass 470.123504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Ae5Ng3EKIn
Name (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one
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/C26H22N4OS2/c1-17-7-11-19(12-8-17)27-15-21-23(16-32-20-13-9-18(2)10-14-20)29-30(25(21)31)26-28-22-5-3-4-6-24(22)33-26/h3-15,27H,16H2,1-2H3/b21-15+
InChIKey QGEGULHYFRGDSV-RCCKNPSSSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13345
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/9120730; UBI_ID: UBI-013348
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-(4-toluidinomethylene)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C