ethanedioic acid; N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)ethanamide Openeye Name: oxalic acid; N-(2-phenylsulfanylphenyl)-2-(2-pyridylmethylamino)acetamide CAS Name: oxalic acid; N-[2-(phenylthio)phenyl]-2-(2-pyridinylmethylamino)acetamide IUPAC Name: oxalic acid; N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide Traditional Name: oxalic acid; N-[2-(phenylthio)phenyl]-2-(2-pyridylmethylamino)acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CNCC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CNCC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19N3OS.C2H2O4/c24-20(15-21-14-16-8-6-7-13-22-16)23-18-11-4-5-12-19(18)25-17-9-2-1-3-10-17;3-1(4)2(5)6/h1-13,21H,14-15H2,(H,23,24);(H,3,4)(H,5,6)