2-[(2,6-Dichlorobenzyl)thio]-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one
6952
Reference
2-[(2,6-Dichlorobenzyl)thio]-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one Structure
Systematic / IUPAC Name: 2-[(2,6-Dichlorobenzyl)sulfanyl]pyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
ID: Reference6952
Other Names: Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 2-{[(2,6-dichlorophenyl)methyl]thio}-
Formula: C12H8Cl2N4OS
Spectral Data
2-[(2,6-Dichlorobenzyl)thio]-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 10/23/2017 11:00:06 AM |
Identificators
| InChI | InChI=1S/C12H8Cl2N4OS/c13-8-2-1-3-9(14)7(8)6-20-11-16-10-4-5-15-18(10)12(19)17-11/h1-5H,6H2,(H,16,17,19) |
| InChI Key | FGWDLUIRUMDJKM-UHFFFAOYSA-N |
| Canonical SMILES | c1cc(c(c(c1)Cl)CSc2[nH]c(=O)n3c(n2)ccn3)Cl |
| CAS | |
| Splash | |
| Other Names | Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 2-{[(2,6-dichlorophenyl)methyl]thio}- |
In Other Databases
| ChemSpider | 17923892 |