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3-[(4-bromobenzyl)thio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole
SpectraBase Compound ID 4Wvm0QWlsTu
InChI InChI=1S/C19H14BrN3S2/c20-15-10-8-14(9-11-15)13-25-19-22-21-18(17-7-4-12-24-17)23(19)16-5-2-1-3-6-16/h1-12H,13H2
InChIKey JJDHBTUUEYUILI-UHFFFAOYSA-N
Mol Weight 428.37 g/mol
Molecular Formula C19H14BrN3S2
Exact Mass 426.981253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bWbYnFjiC
Name 3-[(4-bromobenzyl)thio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole
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Formula C19H14BrN3S2
InChI InChI=1S/C19H14BrN3S2/c20-15-10-8-14(9-11-15)13-25-19-22-21-18(17-7-4-12-24-17)23(19)16-5-2-1-3-6-16/h1-12H,13H2
InChIKey JJDHBTUUEYUILI-UHFFFAOYSA-N
Molecular Weight 428.366 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2ccc(cc2)Br)-c2sccc2)cc1
SPLASH splash10-004r-6972400000-f77d02223af7eb59e24d
Synonyms 3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole 3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole 3-[(4-bromophenyl)methylthio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole
Wiley ID 1445307