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2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide

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2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID LCdLX3Xfz7J
InChI InChI=1S/C24H25ClN6O3S/c1-14-6-9-17(10-7-14)31-23(22-21(25)15(2)30(3)29-22)27-28-24(31)35-13-20(32)26-16-8-11-18(33-4)19(12-16)34-5/h6-12H,13H2,1-5H3,(H,26,32)
InChIKey LTLLIHKHDCQIPK-UHFFFAOYSA-N
Mol Weight 513.02 g/mol
Molecular Formula C24H25ClN6O3S
Exact Mass 512.139738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CwHPOFOUoff
Name 2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
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/C24H25ClN6O3S/c1-14-6-9-17(10-7-14)31-23(22-21(25)15(2)30(3)29-22)27-28-24(31)35-13-20(32)26-16-8-11-18(33-4)19(12-16)34-5/h6-12H,13H2,1-5H3,(H,26,32)
InChIKey LTLLIHKHDCQIPK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11286
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/1019779; Labnumber: NIV0853; UZI_ID: UZI-011288
Temperature 308 °C