2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline dihydrochloride

Systemtic Name: 2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline dihydrochloride Openeye Name: 2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline dihydrochloride CAS Name: 2-[[2-(dimethylaminomethyl)phenyl]thio]-5-(trifluoromethyl)aniline dihydrochloride IUPAC Name: 2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline dihydrochloride Traditional Name: [2-[[2-amino-4-(trifluoromethyl)phenyl]thio]benzyl]-dimethyl-amine dihydrochloride Formula: C16H19Cl2F3N2S MolecularWeight: 399.30167

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)N.Cl.Cl

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)N.Cl.Cl

InChI

InChI=1S/C16H17F3N2S.2ClH/c1-21(2)10-11-5-3-4-6-14(11)22-15-8-7-12(9-13(15)20)16(17,18)19;;/h3-9H,10,20H2,1-2H3;2*1H