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{[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]imino}(methyl)(phenyl)-.lambda.6-sulfanone
SpectraBase Compound ID F8lIxWqsmHd
InChI InChI=1S/C22H19ClN4O2S/c1-29-19-14-8-16(9-15-19)21-24-22(26-30(2,28)20-6-4-3-5-7-20)27(25-21)18-12-10-17(23)11-13-18/h3-15H,1-2H3
InChIKey VCJSYSPKKJKINF-UHFFFAOYSA-N
Mol Weight 438.93 g/mol
Molecular Formula C22H19ClN4O2S
Exact Mass 438.091725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcoLrZNn42t
Name {[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]imino}(methyl)(phenyl)-.lambda.6-sulfanone
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClN4O2S
InChI InChI=1S/C22H19ClN4O2S/c1-29-19-14-8-16(9-15-19)21-24-22(26-30(2,28)20-6-4-3-5-7-20)27(25-21)18-12-10-17(23)11-13-18/h3-15H,1-2H3
InChIKey VCJSYSPKKJKINF-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000335
Molecular Weight 438.933 g/mol
Reported Formula C22H19O2N4ClS
SMILES CS(c1ccccc1)(=Nc1[n](-c2ccc(cc2)Cl)nc(-c2ccc(cc2)OC)n1)=O
SPLASH splash10-000l-0300900000-24f61bdf160a0d1ee9a9
Source of Spectrum U1-2020-SM7-7q
Wiley ID 1860533