ethanedioic acid; 1-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(o-tolyl)piperazine; oxalic acid CAS Name: 1-(2-methylphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-[4-(methylthio)benzyl]-4-(o-tolyl)piperazine; oxalic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2S.C2H2O4/c1-16-5-3-4-6-19(16)21-13-11-20(12-14-21)15-17-7-9-18(22-2)10-8-17;3-1(4)2(5)6/h3-10H,11-15H2,1-2H3;(H,3,4)(H,5,6)