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N-[2-[4-[(E)-(4-methylbenzylidene)amino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
SpectraBase Compound ID KofAHq21wma
InChI InChI=1S/C23H19N5OS/c1-16-11-13-17(14-12-16)15-24-28-21(26-27-23(28)30)19-9-5-6-10-20(19)25-22(29)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,29)(H,27,30)/b24-15+
InChIKey SLTCOTRKCRMQDL-BUVRLJJBSA-N
Mol Weight 413.5 g/mol
Molecular Formula C23H19N5OS
Exact Mass 413.131031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgqZT7ZZq2R
Name N-[2-[4-[(E)-(4-methylbenzylidene)amino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
CAS Registry Number 106361-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N5OS
InChI InChI=1S/C23H19N5OS/c1-16-11-13-17(14-12-16)15-24-28-21(26-27-23(28)30)19-9-5-6-10-20(19)25-22(29)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,29)(H,27,30)/b24-15+
InChIKey SLTCOTRKCRMQDL-BUVRLJJBSA-N
Molecular Weight 413.499 g/mol
SMILES N1N=C(c2c(NC(=O)c3ccccc3)cccc2)N(C1=S)\N=C\c1ccc(cc1)C
SPLASH splash10-056r-3890000000-2cfc23d39ad875df8ed5
Source of Spectrum Y-23-45-0
Synonyms N-[2-[4-[(E)-(4-methylphenyl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide N-[2-[4-[(E)-p-tolylmethyleneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
Wiley ID 1375016