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N-(1,3-benzodioxol-5-yl)-2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(1,3-benzodioxol-5-yl)-2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 9F4MGLwMnM1
InChI InChI=1S/C24H23BrN6O4S/c1-4-33-17-8-6-16(7-9-17)31-23(22-21(25)14(2)30(3)29-22)27-28-24(31)36-12-20(32)26-15-5-10-18-19(11-15)35-13-34-18/h5-11H,4,12-13H2,1-3H3,(H,26,32)
InChIKey INDFDOZTIBRHQE-UHFFFAOYSA-N
Mol Weight 571.45 g/mol
Molecular Formula C24H23BrN6O4S
Exact Mass 570.068487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HaY4p5G5ee9
Name N-(1,3-benzodioxol-5-yl)-2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C24H23BrN6O4S/c1-4-33-17-8-6-16(7-9-17)31-23(22-21(25)14(2)30(3)29-22)27-28-24(31)36-12-20(32)26-15-5-10-18-19(11-15)35-13-34-18/h5-11H,4,12-13H2,1-3H3,(H,26,32)
InChIKey INDFDOZTIBRHQE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11317
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/1026606; Labnumber: NIV0988; UZI_ID: UZI-011319
Temperature 308 °C