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4-Methoxy-N-[2-[4-[(E)-(4-methylbenzylidene)amino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
SpectraBase Compound ID FioUfZJXVEK
InChI InChI=1S/C24H21N5O2S/c1-16-7-9-17(10-8-16)15-25-29-22(27-28-24(29)32)20-5-3-4-6-21(20)26-23(30)18-11-13-19(31-2)14-12-18/h3-15H,1-2H3,(H,26,30)(H,28,32)/b25-15+
InChIKey RCYGRELONMMNKL-MFKUBSTISA-N
Mol Weight 443.53 g/mol
Molecular Formula C24H21N5O2S
Exact Mass 443.141596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VG0ctCYYlO
Name 4-Methoxy-N-[2-[4-[(E)-(4-methylbenzylidene)amino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
CAS Registry Number 106346-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N5O2S
InChI InChI=1S/C24H21N5O2S/c1-16-7-9-17(10-8-16)15-25-29-22(27-28-24(29)32)20-5-3-4-6-21(20)26-23(30)18-11-13-19(31-2)14-12-18/h3-15H,1-2H3,(H,26,30)(H,28,32)/b25-15+
InChIKey RCYGRELONMMNKL-MFKUBSTISA-N
Molecular Weight 443.525 g/mol
SMILES N1N=C(c2c(NC(c3ccc(cc3)OC)=O)cccc2)N(C1=S)\N=C\c1ccc(cc1)C
SPLASH splash10-0aor-0619000000-3bd074ab62fe28c68271
Source of Spectrum Y-23-45-0
Synonyms 4-Methoxy-N-[2-[4-[(E)-(4-methylphenyl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide 4-Methoxy-N-[2-[4-[(E)-p-tolylmethyleneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
Wiley ID 1385725