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2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-dihydro-3H-pyrazol-3-one

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2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID WUrYOulGam
InChI InChI=1S/C22H22N4OS/c1-4-7-18-20(15(3)23-16-12-10-14(2)11-13-16)21(27)26(25-18)22-24-17-8-5-6-9-19(17)28-22/h5-6,8-13,25H,4,7H2,1-3H3/b23-15+
InChIKey JKIUBZHPOINRPD-HZHRSRAPSA-N
Mol Weight 390.51 g/mol
Molecular Formula C22H22N4OS
Exact Mass 390.151433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4tSq3gihiHD
Name 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-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/C22H22N4OS/c1-4-7-18-20(15(3)23-16-12-10-14(2)11-13-16)21(27)26(25-18)22-24-17-8-5-6-9-19(17)28-22/h5-6,8-13,25H,4,7H2,1-3H3/b23-15+
InChIKey JKIUBZHPOINRPD-HZHRSRAPSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18219
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/9120794; UBI_ID: UBI-018222
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Temperature 313 °C