4-Allyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
8652
Reference
4-Allyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione Structure
Systematic / IUPAC Name: 3-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
ID: Reference8652
Other Names: 4H-1,2,4-Triazole-3-thiol, 5-[[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-(2-propen-1-yl)-
Formula: C15H16N6S2
Spectral Data
4-Allyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione 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 | 110 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/6/2019 11:44:36 AM |
Identificators
| InChI | InChI=1S/C15H16N6S2/c1-3-9-21-12(16-18-14(21)22)10-23-15-19-17-13(20(15)2)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,18,22) |
| InChI Key | JJMOLQKDUDIOHL-UHFFFAOYSA-N |
| Canonical SMILES | CN1C(=NN=C1SCC2=NNC(=S)N2CC=C)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | 4H-1,2,4-Triazole-3-thiol, 5-[[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-(2-propen-1-yl)- |
In Other Databases
| ChEBI | CHEBI:105733 |
| ChemSpider | 2092931 |
| ChEMBL | CHEMBL1445568 |
| PubChem | 2814542 |