2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline; ethanedioic acid

Systemtic Name: 2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline; ethanedioic acid Openeye Name: 2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline; oxalic acid CAS Name: 2-[[2-(dimethylaminomethyl)phenyl]thio]-5-(trifluoromethyl)aniline; oxalic acid IUPAC Name: 2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline; oxalic acid Traditional Name: [2-[[2-amino-4-(trifluoromethyl)phenyl]thio]benzyl]-dimethyl-amine; oxalic acid Formula: C18H19F3N2O4S MolecularWeight: 416.41467

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N2S.C2H2O4/c1-21(2)10-11-5-3-4-6-14(11)22-15-8-7-12(9-13(15)20)16(17,18)19;3-1(4)2(5)6/h3-9H,10,20H2,1-2H3;(H,3,4)(H,5,6)