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Benzenecarboximidic acid, N-[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]-, ethyl ester
SpectraBase Compound ID IRbTsYnz9kZ
InChI InChI=1S/C25H24N4OS/c1-4-30-24(19-10-6-5-7-11-19)26-22-13-9-8-12-21(22)23-27-28-25(31-3)29(23)20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3/b26-24-
InChIKey MTLMFMXSPQEXBR-LCUIJRPUSA-N
Mol Weight 428.55 g/mol
Molecular Formula C25H24N4OS
Exact Mass 428.167083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MH3ia5B0I7
Name Benzenecarboximidic acid, N-[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]-, ethyl ester
CAS Registry Number 104573-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N4OS
InChI InChI=1S/C25H24N4OS/c1-4-30-24(19-10-6-5-7-11-19)26-22-13-9-8-12-21(22)23-27-28-25(31-3)29(23)20-16-14-18(2)15-17-20/h5-17H,4H2,1-3H3/b26-24-
InChIKey MTLMFMXSPQEXBR-LCUIJRPUSA-N
Molecular Weight 428.554 g/mol
SMILES c1([n](c(SC)nn1)-c1ccc(cc1)C)-c1c(\N=C\(c2ccccc2)OCC)cccc1
SPLASH splash10-01q9-0019000000-eec15229dd9eb2cb05e8
Source of Spectrum Y-22-1192-6
Synonyms 5-(2-((1'-phenyl-1'-ethoxy-methylene)-amino)-phenyl)-4-(4-methylphenyl)-3-methylthio-1,2,4-triazole Ethyl N-{2-[4-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzenecarboximidoate
Wiley ID 1380748