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N-(1,3-benzodioxol-5-ylmethyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 1aHUfsJ5CaM
InChI InChI=1S/C23H19N5O3S/c29-21(25-12-16-8-9-19-20(11-16)31-15-30-19)14-32-23-27-26-22(17-5-4-10-24-13-17)28(23)18-6-2-1-3-7-18/h1-11,13H,12,14-15H2,(H,25,29)
InChIKey CWHNAWOFOCNJCS-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C23H19N5O3S
Exact Mass 445.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1QWVMspIbUV
Name N-(1,3-benzodioxol-5-ylmethyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H19N5O3S/c29-21(25-12-16-8-9-19-20(11-16)31-15-30-19)14-32-23-27-26-22(17-5-4-10-24-13-17)28(23)18-6-2-1-3-7-18/h1-11,13H,12,14-15H2,(H,25,29)
InChIKey CWHNAWOFOCNJCS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7886
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: D48984; Labnumber: MOR-8664; SBI_ID: SBI-007889
Temperature 308 °C