2-{[3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]carbonyl}-N-phenylhydrazine-1-carbothioamide
3650
Reference
2-{[3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]carbonyl}-N-phenylhydrazine-1-carbothioamide Structure
Systematic / IUPAC Name: 2-{[1-(2,4-Dichlorobenzyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-N-phenylhydrazinecarbothioamide
ID: Reference3650
Other Names: 1H-Pyrazole-5-carboxylic acid, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl), 2-[(phenylamino)thioxomethyl]hydrazide
Formula: C22H23Cl2N5OS
Spectral Data
2-{[3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]carbonyl}-N-phenylhydrazine-1-carbothioamide 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 | 1/28/2016 11:26:31 AM |
Identificators
| InChI | InChI=1S/C22H23Cl2N5OS/c1-22(2,3)19-12-18(29(28-19)13-14-9-10-15(23)11-17(14)24)20(30)26-27-21(31)25-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,26,30)(H2,25,27,31) |
| InChI Key | VKVZFPSRVMGAFS-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=S)NC2=CC=CC=C2)CC3=C(C=C(C=C3)Cl)Cl |
| CAS | |
| Splash | |
| Other Names | 1H-Pyrazole-5-carboxylic acid, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl), 2-[(phenylamino)thioxomethyl]hydrazide |