ethanedioic acid; 4-phenyl-1-(3-phenylsulfanylpropyl)-3,6-dihydro-2H-pyridine

Systemtic Name: ethanedioic acid; 4-phenyl-1-(3-phenylsulfanylpropyl)-3,6-dihydro-2H-pyridine Openeye Name: oxalic acid; 4-phenyl-1-(3-phenylsulfanylpropyl)-3,6-dihydro-2H-pyridine CAS Name: oxalic acid; 4-phenyl-1-[3-(phenylthio)propyl]-3,6-dihydro-2H-pyridine IUPAC Name: oxalic acid; 4-phenyl-1-(3-phenylsulfanylpropyl)-3,6-dihydro-2H-pyridine Traditional Name: oxalic acid; 4-phenyl-1-[3-(phenylthio)propyl]-3,6-dihydro-2H-pyridine Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCCSC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCCSC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NS.C2H2O4/c1-3-8-18(9-4-1)19-12-15-21(16-13-19)14-7-17-22-20-10-5-2-6-11-20;3-1(4)2(5)6/h1-6,8-12H,7,13-17H2;(H,3,4)(H,5,6)