N'-{[(4-Chloroanilino)carbonyl]oxy}-3-({[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl)benzenecarboximidamide
8624
Reference
N'-{[(4-Chloroanilino)carbonyl]oxy}-3-({[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl)benzenecarboximidamide Structure
Systematic / IUPAC Name: [(E)-[Amino-[3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
ID: Reference8624
Other Names: Benzenecarboximidamide, N'-[[[(4-chlorophenyl)amino]carbonyl]oxy]-3-[[[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
Formula: C19H16ClF3N6O2S
Spectral Data
N'-{[(4-Chloroanilino)carbonyl]oxy}-3-({[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl)benzenecarboximidamide 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 | 220 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/6/2019 8:28:14 AM |
Identificators
| InChI | InChI=1S/C19H16ClF3N6O2S/c1-29-16(19(21,22)23)26-27-17(29)32-10-11-3-2-4-12(9-11)15(24)28-31-18(30)25-14-7-5-13(20)6-8-14/h2-9H,10H2,1H3,(H2,24,28)(H,25,30) |
| InChI Key | BYRMHMYRDGUILE-UHFFFAOYSA-N |
| Canonical SMILES | CN1C(=NN=C1SCC2=CC=CC(=C2)C(=NOC(=O)NC3=CC=C(C=C3)Cl)N)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | Benzenecarboximidamide, N'-[[[(4-chlorophenyl)amino]carbonyl]oxy]-3-[[[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]- |