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3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

View entire compound with spectra: 1 MS (GC)

3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
SpectraBase Compound ID 3MiZgrlEW47
InChI InChI=1S/C18H13BrN4OS/c19-14-6-4-5-13(11-14)17-20-21-18(25-12-15-9-10-24-22-15)23(17)16-7-2-1-3-8-16/h1-11H,12H2
InChIKey LKEPSWXHYUYUTJ-UHFFFAOYSA-N
Mol Weight 413.29 g/mol
Molecular Formula C18H13BrN4OS
Exact Mass 411.999345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTzA4jDQmyh
Name 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
Alternate Name(s) 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole 3-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoxazole
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Formula C18H13BrN4OS
InChI InChI=1S/C18H13BrN4OS/c19-14-6-4-5-13(11-14)17-20-21-18(25-12-15-9-10-24-22-15)23(17)16-7-2-1-3-8-16/h1-11H,12H2
InChIKey LKEPSWXHYUYUTJ-UHFFFAOYSA-N
Molecular Weight 413.293 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2nocc2)-c2cc(Br)ccc2)cc1
SPLASH splash10-004i-9622000000-109b100f38b8fbe47ce5
Wiley ID 1443786