1,5-Diphenyl-3-(2-thienylcarbonyl)[1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-one

enlarge

Systematic / IUPAC Name: 1,5-Diphenyl-3-(2-thienylcarbonyl)[1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-one

ID: Reference6736

Other Names: 1,2,4-Triazolo[4,3-a]pyrimidin-7(1H)-one, 1,5-diphenyl-3-(2-thienylcarbonyl)-

Formula: C22H14N4O2S

Spectral Data

1,5-Diphenyl-3-(2-thienylcarbonyl)[1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/16/2017 1:01:46 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H14N4O2S/c27-19-14-17(15-8-3-1-4-9-15)25-21(20(28)18-12-7-13-29-18)24-26(22(25)23-19)16-10-5-2-6-11-16/h1-14H
InChI Key NVPQMFIDKFDOCK-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C2=CC(=O)N=C3N2C(=NN3C4=CC=CC=C4)C(=O)C5=CC=CS5
CAS
Splash
Other Names 1,2,4-Triazolo[4,3-a]pyrimidin-7(1H)-one, 1,5-diphenyl-3-(2-thienylcarbonyl)-

In Other Databases

PubChem 2816212
ChemSpider 2094559