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2-[(3-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
SpectraBase Compound ID 9ziKkelA6eq
InChI InChI=1S/C20H14N6O2S3/c21-9-13-5-1-3-7-15(13)23-17(27)11-29-19-25-20(31-26-19)30-12-18(28)24-16-8-4-2-6-14(16)10-22/h1-8H,11-12H2,(H,23,27)(H,24,28)
InChIKey FTXIQRNVKPNAIO-UHFFFAOYSA-N
Mol Weight 466.55 g/mol
Molecular Formula C20H14N6O2S3
Exact Mass 466.034037 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G5F8hANN3sT
Name 2-[(3-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(2-cyanophenyl)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/C20H14N6O2S3/c21-9-13-5-1-3-7-15(13)23-17(27)11-29-19-25-20(31-26-19)30-12-18(28)24-16-8-4-2-6-14(16)10-22/h1-8H,11-12H2,(H,23,27)(H,24,28)
InChIKey FTXIQRNVKPNAIO-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2714
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: NMR/9302739; Labnumber: NKS-aca0112