3-{[(Cyanoimino)(methylthio)methyl]imino}-1,2-dimethyl-5-(methylthio)-2,3-dihydro-1H-1,2,4-triazole
4848
Reference
3-{[(Cyanoimino)(methylthio)methyl]imino}-1,2-dimethyl-5-(methylthio)-2,3-dihydro-1H-1,2,4-triazole Structure
Systematic / IUPAC Name: Methyl N'-cyano-N-[(3Z)-1,2-dimethyl-5-(methylsulfanyl)-1,2-dihydro-3H-1,2,4-triazol-3-ylidene]carbamimidothioate
ID: Reference4848
Other Names: Carbamimidothioic acid, N'-cyano-N-[(3Z)-1,2-dihydro-1,2-dimethyl-5-(methylthio)-3H-1,2,4-triazol-3-ylidene], methyl ester
Formula: C8H12N6S2
Spectral Data
3-{[(Cyanoimino)(methylthio)methyl]imino}-1,2-dimethyl-5-(methylthio)-2,3-dihydro-1H-1,2,4-triazole 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 | 5/13/2016 8:53:16 AM |
Identificators
| InChI | InChI=1S/C8H12N6S2/c1-13-6(11-7(15-3)10-5-9)12-8(16-4)14(13)2/h1-4H3/b10-7-,11-6- |
| InChI Key | CMKPQRPZRXQMGP-LXQMTTSMSA-N |
| Canonical SMILES | Cn1/c(=N\C(=N\C#N)\SC)/nc(n1C)SC |
| CAS | |
| Splash | |
| Other Names | Carbamimidothioic acid, N'-cyano-N-[(3Z)-1,2-dihydro-1,2-dimethyl-5-(methylthio)-3H-1,2,4-triazol-3-ylidene], methyl ester |
In Other Databases
| ChemSpider | 17925896 |