2-[5-isothiocyanato-2-(trifluoromethyl)phenoxy]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[5-isothiocyanato-2-(trifluoromethyl)phenoxy]-N,N-dimethyl-ethanamine Openeye Name: 2-[5-isothiocyanato-2-(trifluoromethyl)phenoxy]-N,N-dimethyl-ethanamine CAS Name: 2-[5-isothiocyanato-2-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine IUPAC Name: 2-[5-isothiocyanato-2-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine Traditional Name: 2-[5-isothiocyanato-2-(trifluoromethyl)phenoxy]ethyl-dimethyl-amine Formula: C12H13F3N2OS MolecularWeight: 290.30463

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=CC(=C1)N=C=S)C(F)(F)F

Isomeric SMILES

CN(C)CCOC1=C(C=CC(=C1)N=C=S)C(F)(F)F

InChI

InChI=1S/C12H13F3N2OS/c1-17(2)5-6-18-11-7-9(16-8-19)3-4-10(11)12(13,14)15/h3-4,7H,5-6H2,1-2H3