ethanedioic acid; N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-yl-ethanamine

Systemtic Name: ethanedioic acid; N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-yl-ethanamine Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-pyridyl)ethanamine; oxalic acid CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2-(2-pyridinyl)ethanamine; oxalic acid IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-pyridin-2-ylethanamine; oxalic acid Traditional Name: methyl-[4-(methylthio)benzyl]-[2-(2-pyridyl)ethyl]amine; oxalic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCC1=CC=CC=N1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2S.C2H2O4/c1-18(12-10-15-5-3-4-11-17-15)13-14-6-8-16(19-2)9-7-14;3-1(4)2(5)6/h3-9,11H,10,12-13H2,1-2H3;(H,3,4)(H,5,6)