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N-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(2,4-dichlorophenyl)urea
SpectraBase Compound ID Aoas2HYkRt1
InChI InChI=1S/C17H13Cl3N4OS2/c18-11-5-6-14(13(20)7-11)21-16(25)22-17-24-23-15(27-17)9-26-8-10-3-1-2-4-12(10)19/h1-7H,8-9H2,(H2,21,22,24,25)
InChIKey GDMAYTJUWPQHJM-UHFFFAOYSA-N
Mol Weight 459.8 g/mol
Molecular Formula C17H13Cl3N4OS2
Exact Mass 457.959637 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuYh2yvdVn2
Name N-(5-{[(2-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(2,4-dichlorophenyl)urea
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/C17H13Cl3N4OS2/c18-11-5-6-14(13(20)7-11)21-16(25)22-17-24-23-15(27-17)9-26-8-10-3-1-2-4-12(10)19/h1-7H,8-9H2,(H2,21,22,24,25)
InChIKey GDMAYTJUWPQHJM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_69
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: C28787; Labnumber: CEP3K-1331; SBI_ID: SBI-000070
Temperature 308 °C