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3-benzyl-7-(benzylthio)-5-phenyl-triazolo[4,5-d]pyrimidine
SpectraBase Compound ID LIjpOtvBdbM
InChI InChI=1S/C24H19N5S/c1-4-10-18(11-5-1)16-29-23-21(27-28-29)24(30-17-19-12-6-2-7-13-19)26-22(25-23)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKey BUSDFRIYIWSPCH-UHFFFAOYSA-N
Mol Weight 409.51 g/mol
Molecular Formula C24H19N5S
Exact Mass 409.136117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ab0wWHSO50
Name 3-benzyl-7-(benzylthio)-5-phenyl-triazolo[4,5-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C24H19N5S
InChI InChI=1S/C24H19N5S/c1-4-10-18(11-5-1)16-29-23-21(27-28-29)24(30-17-19-12-6-2-7-13-19)26-22(25-23)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKey BUSDFRIYIWSPCH-UHFFFAOYSA-N
Molecular Weight 409.511 g/mol
SMILES c12[n](nnc1c(nc(n2)-c1ccccc1)SCc1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9000100000-22bf3e301206130bdb1f
Source of Spectrum AJ-41-578-13
Synonyms 3-benzyl-7-benzylsulfanyl-5-phenyl-triazolo[4,5-d]pyrimidine 5-phenyl-3-(phenylmethyl)-7-(phenylmethylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidine 5-phenyl-3-(phenylmethyl)-7-(phenylmethylthio)triazolo[4,5-d]pyrimidine
Wiley ID 1567569