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Benzenecarboximidic acid, N-[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]-, methyl ester
SpectraBase Compound ID A65II3fA7DQ
InChI InChI=1S/C24H22N4OS/c1-18-12-14-20(15-13-18)28-23(26-27-24(28)30-2)21-10-6-7-11-22(21)25-17-29-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3/b25-17-
InChIKey FJQBBAARKHYJPK-UQQQWYQISA-N
Mol Weight 414.53 g/mol
Molecular Formula C24H22N4OS
Exact Mass 414.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6Y73v8N3y6
Name Benzenecarboximidic acid, N-[2-[4-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]phenyl]-, methyl ester
CAS Registry Number 104574-00-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N4OS
InChI InChI=1S/C24H22N4OS/c1-18-12-14-20(15-13-18)28-23(26-27-24(28)30-2)21-10-6-7-11-22(21)25-17-29-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3/b25-17-
InChIKey FJQBBAARKHYJPK-UQQQWYQISA-N
Molecular Weight 414.527 g/mol
SMILES c1([n](c(SC)nn1)-c1ccc(cc1)C)-c1c(\N=C/OCc2ccccc2)cccc1
SPLASH splash10-001i-0009000000-6836c9295b2432049958
Source of Spectrum Y-22-1192-6
Synonyms 5-(2-Phenyl-methoxymethyleneamino-phenyl)-4-(4-methylphenyl)-3-methylthio-1,2,4-triazole benzyl 2-[4-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]phenylimidoformate
Wiley ID 1375458