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

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2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(E)-(cyclohexylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID A5gF3blgNPL
InChI InChI=1S/C24H23ClN4OS2/c25-16-10-12-18(13-11-16)31-15-21-19(14-26-17-6-2-1-3-7-17)23(30)29(28-21)24-27-20-8-4-5-9-22(20)32-24/h4-5,8-14,17,28H,1-3,6-7,15H2/b26-14+
InChIKey IKGKNUPURFFRTF-VULFUBBASA-N
Mol Weight 483.05 g/mol
Molecular Formula C24H23ClN4OS2
Exact Mass 482.100181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DVPG5CW3DHP
Name 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(E)-(cyclohexylimino)methyl]-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/C24H23ClN4OS2/c25-16-10-12-18(13-11-16)31-15-21-19(14-26-17-6-2-1-3-7-17)23(30)29(28-21)24-27-20-8-4-5-9-22(20)32-24/h4-5,8-14,17,28H,1-3,6-7,15H2/b26-14+
InChIKey IKGKNUPURFFRTF-VULFUBBASA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_462
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: 602308VOR8-8594; Labnumber: 602308VOR8-8594; VK_ID: VK-000463
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(cyclohexylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one
Temperature 313 °C