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5-(3-methoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol

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5-(3-methoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5rUJSHdTFJA
InChI InChI=1S/C19H20N4O4S/c1-24-14-7-5-6-13(10-14)18-21-22-19(28)23(18)20-11-12-8-15(25-2)17(27-4)16(9-12)26-3/h5-11H,1-4H3,(H,22,28)/b20-11+
InChIKey FSOJCXDHMCHLSD-RGVLZGJSSA-N
Mol Weight 400.45 g/mol
Molecular Formula C19H20N4O4S
Exact Mass 400.120526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LGmA0phCjZ
Name 5-(3-Methoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.120526310 u
Formula C19H20N4O4S
InChI InChI=1S/C19H20N4O4S/c1-24-14-7-5-6-13(10-14)18-21-22-19(28)23(18)20-11-12-8-15(25-2)17(27-4)16(9-12)26-3/h5-11H,1-4H3,(H,22,28)/b20-11+
InChIKey FSOJCXDHMCHLSD-RGVLZGJSSA-N
Molecular Weight 400.453 g/mol
SMILES SC=1N(C(=NN1)C1=CC(OC)=CC=C1)\N=C\C=1C=C(OC)C(=C(C1)OC)OC