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

Systemtic Name: ethanedioic acid; 2-[2-(methylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline Openeye Name: 2-[2-(methylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline; oxalic acid CAS Name: 2-[[2-(methylaminomethyl)phenyl]thio]-5-(trifluoromethyl)aniline; oxalic acid IUPAC Name: 2-[2-(methylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline; oxalic acid Traditional Name: [2-[[2-amino-4-(trifluoromethyl)phenyl]thio]benzyl]-methyl-amine; oxalic acid Formula: C17H17F3N2O4S MolecularWeight: 402.38809

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)N.C(=O)(C(=O)O)O

Isomeric SMILES

CNCC1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15F3N2S.C2H2O4/c1-20-9-10-4-2-3-5-13(10)21-14-7-6-11(8-12(14)19)15(16,17)18;3-1(4)2(5)6/h2-8,20H,9,19H2,1H3;(H,3,4)(H,5,6)