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4,1',5'-triphenyl-1,4-dihydro-1'H-[3,3']bi[[1,2,4]triazolyl]-5-thione
SpectraBase Compound ID GjmmKYUGE6T
InChI InChI=1S/C22H16N6S/c29-22-25-24-21(27(22)17-12-6-2-7-13-17)19-23-20(16-10-4-1-5-11-16)28(26-19)18-14-8-3-9-15-18/h1-15H,(H,25,29)
InChIKey NBPWECLTWIJYCG-UHFFFAOYSA-N
Mol Weight 396.47 g/mol
Molecular Formula C22H16N6S
Exact Mass 396.115716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYPTJYZ1WHg
Name 4,1',5'-triphenyl-1,4-dihydro-1'H-[3,3']bi[[1,2,4]triazolyl]-5-thione
Comments Less than 3 mono-isotopic peaks
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Formula C22H16N6S
InChI InChI=1S/C22H16N6S/c29-22-25-24-21(27(22)17-12-6-2-7-13-17)19-23-20(16-10-4-1-5-11-16)28(26-19)18-14-8-3-9-15-18/h1-15H,(H,25,29)
InChIKey NBPWECLTWIJYCG-UHFFFAOYSA-N
Molecular Weight 396.472 g/mol
SMILES N1C(N(C(=N1)c1nc(-c2ccccc2)[n](n1)-c1ccccc1)c1ccccc1)=S
SPLASH splash10-0002-0009000000-4e25e0bf1814d0784ba2
Source of Spectrum Y-47-1112-3
Wiley ID 1667359