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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[({[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzenesulfonamide
SpectraBase Compound ID FbNbU65D3ul
InChI InChI=1S/C16H16IN7O3S3/c1-3-12-20-21-16(29-12)23-30(26,27)10-6-4-9(5-7-10)18-15(28)19-14(25)13-11(17)8-24(2)22-13/h4-8H,3H2,1-2H3,(H,21,23)(H2,18,19,25,28)
InChIKey YDPKYEQEUCOJKL-UHFFFAOYSA-N
Mol Weight 577.43 g/mol
Molecular Formula C16H16IN7O3S3
Exact Mass 576.952146 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 43TeohCeyHT
Name N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[({[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzenesulfonamide
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/C16H16IN7O3S3/c1-3-12-20-21-16(29-12)23-30(26,27)10-6-4-9(5-7-10)18-15(28)19-14(25)13-11(17)8-24(2)22-13/h4-8H,3H2,1-2H3,(H,21,23)(H2,18,19,25,28)
InChIKey YDPKYEQEUCOJKL-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15314
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/6210710; UBI_ID: UBI-015317
Temperature 300 °C