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
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.
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 |
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 |