Isomethiozin
1644
Reference
Isomethiozin Structure
Systematic / IUPAC Name: 6-Isobutyl-4-[(E)-(2-methylpropylidene)amino]-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
ID: Reference1644
Other Names: 1,2,4-Triazin-5(4H)-one, 6-(2-methylpropyl)-4-[[(1E)-2-methylpropylidene]amino]-3-(methylthio)-
Formula: C12H20N4OS
Class: Pesticides/Herbicides
Spectral Data
Isomethiozin 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 | 41 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/2/2014 10:49:48 AM |
Identificators
| InChI | InChI=1S/C12H20N4OS/c1-8(2)6-10-11(17)16(13-7-9(3)4)12(18-5)15-14-10/h7-9H,6H2,1-5H3/b13-7+ |
| InChI Key | LEERDFCIGQKTOI-NTUHNPAUSA-N |
| Canonical SMILES | CC(C)CC1=NN=C(N(C1=O)N=CC(C)C)SC |
| CAS | 57052047 |
| Splash | |
| Other Names | 1,2,4-Triazin-5(4H)-one, 6-(2-methylpropyl)-4-[[(1E)-2-methylpropylidene]amino]-3-(methylthio)- |