Systematic / IUPAC Name: Methyl N'-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
ID: Reference6406
Other Names: Carbamimidothioic acid, N'-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl], methyl ester
Formula: C16H15F3N2OS
Methyl N-(4-methoxyphenyl)-[3-(trifluoromethyl)anilino]methanimidothioate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 3/1/2017 7:44:55 AM |
InChI | InChI=1S/C16H15F3N2OS/c1-22-14-8-6-12(7-9-14)20-15(23-2)21-13-5-3-4-11(10-13)16(17,18)19/h3-10H,1-2H3,(H,20,21) |
InChI Key | BBIFQXGLYXWQOA-UHFFFAOYSA-N |
Canonical SMILES | COC1=CC=C(C=C1)N=C(NC2=CC=CC(=C2)C(F)(F)F)SC |
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Other Names | Carbamimidothioic acid, N'-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl], methyl ester |