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3-(4-Methoxyphenyl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole
SpectraBase Compound ID 97F08cOVEFK
InChI InChI=1S/C22H18N4O3S/c1-29-20-13-9-17(10-14-20)21-23-24-22(25(21)18-5-3-2-4-6-18)30-15-16-7-11-19(12-8-16)26(27)28/h2-14H,15H2,1H3
InChIKey VZQUJSZIPOGLAO-UHFFFAOYSA-N
Mol Weight 418.47 g/mol
Molecular Formula C22H18N4O3S
Exact Mass 418.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jMMMlpKock
Name 3-(4-Methoxyphenyl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole
Alternate Name(s) 3-(4-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-(4-Methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole
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Formula C22H18N4O3S
InChI InChI=1S/C22H18N4O3S/c1-29-20-13-9-17(10-14-20)21-23-24-22(25(21)18-5-3-2-4-6-18)30-15-16-7-11-19(12-8-16)26(27)28/h2-14H,15H2,1H3
InChIKey VZQUJSZIPOGLAO-UHFFFAOYSA-N
Molecular Weight 418.471 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2ccc(N(=O)=O)cc2)-c2ccc(cc2)OC)cc1
SPLASH splash10-01t9-9560100000-1483198cdbab231b6f4b
Wiley ID 1459892