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N-[2-[4-[(E)-(4-methoxyphenyl)methyleneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
SpectraBase Compound ID FIFFYXcufVH
InChI InChI=1S/C23H19N5O2S/c1-30-18-13-11-16(12-14-18)15-24-28-21(26-27-23(28)31)19-9-5-6-10-20(19)25-22(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,25,29)(H,27,31)/b24-15+
InChIKey IOMMYJWYGOGNKN-BUVRLJJBSA-N
Mol Weight 429.5 g/mol
Molecular Formula C23H19N5O2S
Exact Mass 429.125946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UDYKDYyHxP
Name N-[2-[4-[(E)-(4-methoxyphenyl)methyleneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
CAS Registry Number 106346-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N5O2S
InChI InChI=1S/C23H19N5O2S/c1-30-18-13-11-16(12-14-18)15-24-28-21(26-27-23(28)31)19-9-5-6-10-20(19)25-22(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,25,29)(H,27,31)/b24-15+
InChIKey IOMMYJWYGOGNKN-BUVRLJJBSA-N
Molecular Weight 429.498 g/mol
SMILES N1N=C(c2c(NC(=O)c3ccccc3)cccc2)N(C1=S)\N=C\c1ccc(cc1)OC
SPLASH splash10-001i-2900000000-78d2f9d1a26c2ef31fa9
Source of Spectrum Y-23-45-0
Synonyms N-[2-[4-[(E)-(4-methoxyphenyl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide N-[2-[4-[(E)-p-anisylideneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide
Wiley ID 1381170