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2-methyl-N-(5-{2-[(2E)-2-(4-methylbenzylidene)hydrazino]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)benzamide
SpectraBase Compound ID JqgK8EM8eft
InChI InChI=1S/C20H19N5O2S/c1-13-7-9-15(10-8-13)12-21-23-17(26)11-18-24-25-20(28-18)22-19(27)16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,23,26)(H,22,25,27)/b21-12+
InChIKey GLZNWYVAESTYIC-CIAFOILYSA-N
Mol Weight 393.47 g/mol
Molecular Formula C20H19N5O2S
Exact Mass 393.125946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7umJXNeajET
Name 2-Methyl-N-(5-{2-[(2E)-2-(4-methylbenzylidene)hydrazino]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.125946044 u
Formula C20H19N5O2S
InChI InChI=1S/C20H19N5O2S/c1-13-7-9-15(10-8-13)12-21-23-17(26)11-18-24-25-20(28-18)22-19(27)16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,23,26)(H,22,25,27)/b21-12+
InChIKey GLZNWYVAESTYIC-CIAFOILYSA-N
Molecular Weight 393.465 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)C)C(CC=1SC(=NN1)NC(C1=C(C)C=CC=C1)=O)=O