Systematic / IUPAC Name: N-(2-Chlorobenzoyl)-2-({4-[(trifluoromethyl)sulfanyl]phenoxy}acetyl)hydrazinecarboxamide
ID: Reference3969
Other Names: Acetic acid, 2-{4-[(trifluoromethyl)thio]phenoxy}, 2-{[(2-chlorobenzoyl)amino]carbonyl}hydrazide
Formula: C17H13ClF3N3O4S
N-1-{[2-(2-{4-[(Trifluoromethyl)thio]phenoxy}acetyl)hydrazino]carbonyl}-2-chlorobenzamide 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 | 2 |
| No. of Spectra | 234 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/26/2016 8:27:25 AM |
| InChI | InChI=1S/C17H13ClF3N3O4S/c18-13-4-2-1-3-12(13)15(26)22-16(27)24-23-14(25)9-28-10-5-7-11(8-6-10)29-17(19,20)21/h1-8H,9H2,(H,23,25)(H2,22,24,26,27) |
| InChI Key | SNTSSUMQBOLBRD-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C(=C1)C(=O)NC(=O)NNC(=O)COC2=CC=C(C=C2)SC(F)(F)F)Cl |
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| Other Names | Acetic acid, 2-{4-[(trifluoromethyl)thio]phenoxy}, 2-{[(2-chlorobenzoyl)amino]carbonyl}hydrazide |