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3-(3-Bromo-benzylsulfanyl)-5-phenyl-[1,2,4]triazol-4-ylamine
SpectraBase Compound ID 7kFGiCilYxE
InChI InChI=1S/C15H13BrN4S/c16-13-8-4-5-11(9-13)10-21-15-19-18-14(20(15)17)12-6-2-1-3-7-12/h1-9H,10,17H2
InChIKey IGNCEHHTJXSIHU-UHFFFAOYSA-N
Mol Weight 361.26 g/mol
Molecular Formula C15H13BrN4S
Exact Mass 360.004431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcYYABNFgZU
Name 3-(3-Bromo-benzylsulfanyl)-5-phenyl-[1,2,4]triazol-4-ylamine
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Formula C15H13BrN4S
InChI InChI=1S/C15H13BrN4S/c16-13-8-4-5-11(9-13)10-21-15-19-18-14(20(15)17)12-6-2-1-3-7-12/h1-9H,10,17H2
InChIKey IGNCEHHTJXSIHU-UHFFFAOYSA-N
Molecular Weight 361.261 g/mol
SMILES N[n]1c(nnc1SCc1cc(Br)ccc1)-c1ccccc1
SPLASH splash10-0jc9-4923000000-5f811e9b969f12d879c7
Synonyms 3-[(3-Bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine 3-[(3-bromobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-ylamine 3-[(3-bromophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine 3-[(3-bromophenyl)methylthio]-5-phenyl-1,2,4-triazol-4-amine [3-[(3-bromobenzyl)thio]-5-phenyl-1,2,4-triazol-4-yl]amine
Wiley ID 1461316