3-Benzyl-7-(methylthio)-4H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazol-4-one

Systematic / IUPAC Name: 3-Benzyl-7-(methylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

ID: Reference3955

Other Names: 3-Benzyl-7-(methylthio)-4H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazol-4-one

Formula: C12H10N4OS2

Spectral Data

3-Benzyl-7-(methylthio)-4H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazol-4-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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/25/2016 9:15:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H10N4OS2/c1-18-12-15-16-10(17)9(13-14-11(16)19-12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key OREWEFFYEKWXOA-UHFFFAOYSA-N
Canonical SMILES CSC1=NN2C(=O)C(=NN=C2S1)CC3=CC=CC=C3
CAS
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Other Names 3-Benzyl-7-(methylthio)-4H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazol-4-one

In Other Databases

PubChem 2825642
ChemSpider 2103773