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N-(4-cyanophenyl)-2-[(2E)-2-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzylidene)hydrazino]-2-oxoacetamide

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N-(4-cyanophenyl)-2-[(2E)-2-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzylidene)hydrazino]-2-oxoacetamide
SpectraBase Compound ID 5dsyxM8O1mn
InChI InChI=1S/C21H18N6O3S2/c1-13-25-27-21(32-13)31-12-16-9-15(5-8-18(16)30-2)11-23-26-20(29)19(28)24-17-6-3-14(10-22)4-7-17/h3-9,11H,12H2,1-2H3,(H,24,28)(H,26,29)/b23-11+
InChIKey BBKOUXUVGXQMJX-FOKLQQMPSA-N
Mol Weight 466.53 g/mol
Molecular Formula C21H18N6O3S2
Exact Mass 466.088181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Ry6uLTbxsf
Name N-(4-cyanophenyl)-2-[(2E)-2-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzylidene)hydrazino]-2-oxoacetamide
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/C21H18N6O3S2/c1-13-25-27-21(32-13)31-12-16-9-15(5-8-18(16)30-2)11-23-26-20(29)19(28)24-17-6-3-14(10-22)4-7-17/h3-9,11H,12H2,1-2H3,(H,24,28)(H,26,29)/b23-11+
InChIKey BBKOUXUVGXQMJX-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21026
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: D51965; Labnumber: NIG-P2814; SBI_ID: SBI-021030
Synonyms N-(4-cyanophenyl)-2-[2-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzylidene)hydrazino]-2-oxoacetamide
Temperature 318 °C