5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(methylthio)-1H-pyrazole-4-carbonitrile
7105
Reference
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(methylthio)-1H-pyrazole-4-carbonitrile Structure
Systematic / IUPAC Name: 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile
ID: Reference7105
Other Names: 1H-Pyrazole-4-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(methylthio)-
Formula: C12H7Cl2F3N4S
Spectral Data
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(methylthio)-1H-pyrazole-4-carbonitrile 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 | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/29/2017 10:38:44 AM |
Identificators
| InChI | InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3 |
| InChI Key | IVGTVZGLPHBTJV-UHFFFAOYSA-N |
| Canonical SMILES | CSC1=NN(C(=C1C#N)N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl |
| CAS | |
| Splash | |
| Other Names | 1H-Pyrazole-4-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(methylthio)- |
In Other Databases
| ChEMBL | CHEMBL128970 |
| PubChem | 2741098 |
| ChemSpider | 2022677 |