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[1-(4-Chlorophenyl)-3-phenyl-1H-1,2,4-triazol-5-yl]imino}(methyl)(phenyl)-.lambda.6-sulfanone
SpectraBase Compound ID DK78e9kJeMX
InChI InChI=1S/C21H17ClN4OS/c1-28(27,19-10-6-3-7-11-19)25-21-23-20(16-8-4-2-5-9-16)24-26(21)18-14-12-17(22)13-15-18/h2-15H,1H3
InChIKey QVKJQRYSLBGHQE-UHFFFAOYSA-N
Mol Weight 408.91 g/mol
Molecular Formula C21H17ClN4OS
Exact Mass 408.08116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KD7TGC69vh
Name [1-(4-Chlorophenyl)-3-phenyl-1H-1,2,4-triazol-5-yl]imino}(methyl)(phenyl)-.lambda.6-sulfanone
Appearance Colorless solid
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Formula C21H17ClN4OS
InChI InChI=1S/C21H17ClN4OS/c1-28(27,19-10-6-3-7-11-19)25-21-23-20(16-8-4-2-5-9-16)24-26(21)18-14-12-17(22)13-15-18/h2-15H,1H3
InChIKey QVKJQRYSLBGHQE-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000335
Molecular Weight 408.907 g/mol
Reported Formula C21H17ON4ClS
SMILES CS(c1ccccc1)(=Nc1[n](-c2ccc(cc2)Cl)nc(-c2ccccc2)n1)=O
SPLASH splash10-056r-1905800000-7b7f29152bcd8812505b
Source of Spectrum U1-2020-SM6-7p
Wiley ID 1860532