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N-(5-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazino]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SpectraBase Compound ID 3Xg6Gsxc1Um
InChI InChI=1S/C19H17N5O4S/c1-28-15-8-4-13(5-9-15)18(27)21-19-24-23-17(29-19)10-16(26)22-20-11-12-2-6-14(25)7-3-12/h2-9,11,25H,10H2,1H3,(H,22,26)(H,21,24,27)/b20-11+
InChIKey UNZBPKBMXBIZDM-RGVLZGJSSA-N
Mol Weight 411.44 g/mol
Molecular Formula C19H17N5O4S
Exact Mass 411.100125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHQsC6rGGWF
Name N-(5-{2-[(2E)-2-(4-Hydroxybenzylidene)hydrazino]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.100125217 u
Formula C19H17N5O4S
InChI InChI=1S/C19H17N5O4S/c1-28-15-8-4-13(5-9-15)18(27)21-19-24-23-17(29-19)10-16(26)22-20-11-12-2-6-14(25)7-3-12/h2-9,11,25H,10H2,1H3,(H,22,26)(H,21,24,27)/b20-11+
InChIKey UNZBPKBMXBIZDM-RGVLZGJSSA-N
Molecular Weight 411.436 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)O)C(CC=1SC(=NN1)NC(C1=CC=C(C=C1)OC)=O)=O