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4-(2-bromanyl-4-methyl-phenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID F0K0vgvnYAc
InChI InChI=1S/C22H17BrN6S/c1-14-9-10-18(15(23)12-14)29-20(26-27-22(29)30)13-28-19-8-3-2-6-16(19)25-21(28)17-7-4-5-11-24-17/h2-12H,13H2,1H3,(H,27,30)
InChIKey NUTZQXBDIYMDGX-UHFFFAOYSA-N
Mol Weight 477.38 g/mol
Molecular Formula C22H17BrN6S
Exact Mass 476.041879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2K5wNS3RBBj
Name 4-(2-bromanyl-4-methyl-phenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Alternate Name(s) 4-(2-bromo-4-methyl-phenyl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione 4-(2-bromo-4-methylphenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione 4-(2-bromo-4-methylphenyl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione
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Formula C22H17BrN6S
InChI InChI=1S/C22H17BrN6S/c1-14-9-10-18(15(23)12-14)29-20(26-27-22(29)30)13-28-19-8-3-2-6-16(19)25-21(28)17-7-4-5-11-24-17/h2-12H,13H2,1H3,(H,27,30)
InChIKey NUTZQXBDIYMDGX-UHFFFAOYSA-N
Molecular Weight 477.384 g/mol
SMILES Sc1nnc(C[n]2c(nc3c2cccc3)-c2ncccc2)[n]1-c1c(Br)cc(C)cc1
SPLASH splash10-0udi-3690100000-f8058aee1a8563175b65
Wiley ID 1512468