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4-(2-Bromo-4-methyl-phenyl)-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol

View entire compound with spectra: 1 MS (GC)

4-(2-Bromo-4-methyl-phenyl)-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID D9tYSKw6SlY
InChI InChI=1S/C16H14BrN3OS/c1-10-3-8-14(13(17)9-10)20-15(18-19-16(20)22)11-4-6-12(21-2)7-5-11/h3-9H,1-2H3,(H,19,22)
InChIKey CIIGSCCFRTYKAG-UHFFFAOYSA-N
Mol Weight 376.27 g/mol
Molecular Formula C16H14BrN3OS
Exact Mass 375.004096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMC3ylHLxYQ
Name 4-(2-Bromo-4-methyl-phenyl)-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
Alternate Name(s) 4-(2-bromanyl-4-methyl-phenyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione 4-(2-bromo-4-methyl-phenyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione 4-(2-Bromo-4-methylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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Formula C16H14BrN3OS
InChI InChI=1S/C16H14BrN3OS/c1-10-3-8-14(13(17)9-10)20-15(18-19-16(20)22)11-4-6-12(21-2)7-5-11/h3-9H,1-2H3,(H,19,22)
InChIKey CIIGSCCFRTYKAG-UHFFFAOYSA-N
Molecular Weight 376.272 g/mol
SMILES Sc1[n](c(nn1)-c1ccc(cc1)OC)-c1c(cc(cc1)C)Br
SPLASH splash10-03di-5920000000-fdadb205e4cd3e0df60f
Wiley ID 1463258