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

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(4E)-2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 7rlRrODQPyf
InChI InChI=1S/C29H28N4OS2/c1-4-32(5-2)22-14-12-21(13-15-22)18-24-26(19-35-23-16-10-20(3)11-17-23)31-33(28(24)34)29-30-25-8-6-7-9-27(25)36-29/h6-18H,4-5,19H2,1-3H3/b24-18+
InChIKey TYVMLCZAQHKZIS-HKOYGPOVSA-N
Mol Weight 512.69 g/mol
Molecular Formula C29H28N4OS2
Exact Mass 512.170454 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cmrv4VBjmE7
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-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/C29H28N4OS2/c1-4-32(5-2)22-14-12-21(13-15-22)18-24-26(19-35-23-16-10-20(3)11-17-23)31-33(28(24)34)29-30-25-8-6-7-9-27(25)36-29/h6-18H,4-5,19H2,1-3H3/b24-18+
InChIKey TYVMLCZAQHKZIS-HKOYGPOVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17001
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/9018537; UBI_ID: UBI-017004
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Temperature 318 °C