1-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]-4-pyridin-2-yl-piperazine; ethanedioic acid

Systemtic Name: 1-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]-4-pyridin-2-yl-piperazine; ethanedioic acid Openeye Name: 1-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]-4-(2-pyridyl)piperazine; oxalic acid CAS Name: 1-[2-[[(4-chlorophenyl)-phenylmethyl]thio]ethyl]-4-(2-pyridinyl)piperazine; oxalic acid IUPAC Name: 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-pyridin-2-ylpiperazine; oxalic acid Traditional Name: 1-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]ethyl]-4-(2-pyridyl)piperazine; oxalic acid Formula: C26H28ClN3O4S MolecularWeight: 514.03622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26ClN3S.C2H2O4/c25-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)29-19-18-27-14-16-28(17-15-27)23-8-4-5-13-26-23;3-1(4)2(5)6/h1-13,24H,14-19H2;(H,3,4)(H,5,6)