7-[(4-Nitrobenzyl)sulfanyl]-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidine

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Systematic / IUPAC Name: 7-[(4-Nitrobenzyl)sulfanyl]-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidine

ID: Reference3668

Other Names: [1,2,4]Triazolo[1,5-a]pyrimidine, 7-{[(4-nitrophenyl)methyl]thio}-5-phenyl-

Formula: C18H13N5O2S

Spectral Data

7-[(4-Nitrobenzyl)sulfanyl]-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/2/2016 8:21:58 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H13N5O2S/c24-23(25)15-8-6-13(7-9-15)11-26-17-10-16(14-4-2-1-3-5-14)21-18-19-12-20-22(17)18/h1-10,12H,11H2
InChI Key QBHNYRWYCQLKBR-UHFFFAOYSA-N
Canonical SMILES
CAS
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Other Names [1,2,4]Triazolo[1,5-a]pyrimidine, 7-{[(4-nitrophenyl)methyl]thio}-5-phenyl-

In Other Databases

ChemSpider 2094322
PubChem 2815966