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N-[2-[4-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
SpectraBase Compound ID LKmhgqXZZnD
InChI InChI=1S/C24H21N5O3S/c1-31-20-13-12-16(14-21(20)32-2)15-25-29-22(27-28-24(29)33)18-10-6-7-11-19(18)26-23(30)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,26,30)(H,28,33)/b25-15+
InChIKey RXSAZRMNKXWDER-MFKUBSTISA-N
Mol Weight 459.52 g/mol
Molecular Formula C24H21N5O3S
Exact Mass 459.136511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMhfrDBIqKh
Name N-[2-[4-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
CAS Registry Number 106346-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N5O3S
InChI InChI=1S/C24H21N5O3S/c1-31-20-13-12-16(14-21(20)32-2)15-25-29-22(27-28-24(29)33)18-10-6-7-11-19(18)26-23(30)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,26,30)(H,28,33)/b25-15+
InChIKey RXSAZRMNKXWDER-MFKUBSTISA-N
Molecular Weight 459.524 g/mol
SMILES N1N=C(c2c(NC(=O)c3ccccc3)cccc2)N(C1=S)\N=C\c1cc(OC)c(cc1)OC
SPLASH splash10-0550-3900000000-97d61698394410116f71
Source of Spectrum Y-23-45-0
Synonyms N-[2-[4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide N-[2-[5-thioxo-4-[(E)-veratrylideneamino]-1H-1,2,4-triazol-3-yl]phenyl]benzamide
Wiley ID 1390205