ethanedioate; N-methyl-2-(2-phenylsulfanylphenyl)ethanamine

Systemtic Name: ethanedioate; N-methyl-2-(2-phenylsulfanylphenyl)ethanamine Openeye Name: N-methyl-2-(2-phenylsulfanylphenyl)ethanamine; oxalate CAS Name: N-methyl-2-[2-(phenylthio)phenyl]ethanamine; oxalate IUPAC Name: N-methyl-2-(2-phenylsulfanylphenyl)ethanamine; oxalate Traditional Name: methyl-[2-[2-(phenylthio)phenyl]ethyl]amine; oxalate Formula: C17H17NO4S-2 MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC=CC=C1SC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CNCCC1=CC=CC=C1SC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C15H17NS.C2H2O4/c1-16-12-11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14;3-1(4)2(5)6/h2-10,16H,11-12H2,1H3;(H,3,4)(H,5,6)/p-2