2-{2-[(4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenyl-1-hydrazinecarbothioamide
4099
Reference
2-{2-[(4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenyl-1-hydrazinecarbothioamide Structure
Systematic / IUPAC Name: 2-{[(4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenylhydrazinecarbothioamide
ID: Reference4099
Other Names: Acetic acid, 2-{[5-phenyl-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio}, 2-[(phenylamino)thioxomethyl]hydrazide
Formula: C20H20N6OS2
Spectral Data
2-{2-[(4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenyl-1-hydrazinecarbothioamide 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 | 3/8/2016 10:53:50 AM |
Identificators
| InChI | InChI=1S/C20H20N6OS2/c1-2-13-26-18(15-9-5-3-6-10-15)23-25-20(26)29-14-17(27)22-24-19(28)21-16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,22,27)(H2,21,24,28) |
| InChI Key | QVZIRBXIWLTGTF-UHFFFAOYSA-N |
| Canonical SMILES | C=CCN1C(=NN=C1SCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | Acetic acid, 2-{[5-phenyl-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio}, 2-[(phenylamino)thioxomethyl]hydrazide |
In Other Databases
| ChEMBL | CHEMBL1391461 |
| PubChem | 2813648 |
| ChemSpider | 2092049 |