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2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 2DHaSrI6PD8
InChI InChI=1S/C17H16ClN5OS/c18-12-5-4-6-13(9-12)20-10-16-21-22-17(25-11-15(19)24)23(16)14-7-2-1-3-8-14/h1-9,20H,10-11H2,(H2,19,24)
InChIKey ARVJCFDSYBDCKE-UHFFFAOYSA-N
Mol Weight 373.86 g/mol
Molecular Formula C17H16ClN5OS
Exact Mass 373.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5gbBTtf8B24
Name 2-({5-[(3-chloroanilino)methyl]-4-phenyl-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/C17H16ClN5OS/c18-12-5-4-6-13(9-12)20-10-16-21-22-17(25-11-15(19)24)23(16)14-7-2-1-3-8-14/h1-9,20H,10-11H2,(H2,19,24)
InChIKey ARVJCFDSYBDCKE-UHFFFAOYSA-N
NMR Offset 14.4773
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_18102
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/8072629; Labnumber: STA-0005331; UZI_ID: UZI-018109
Temperature 313 °C