2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(3-pyridyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(3-pyridinyl)-N-[4-(3-pyridinylmethylthio)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(3-pyridyl)-N-[4-(3-pyridylmethylthio)phenyl]cinchoninamide Formula: C27H20N4OS MolecularWeight: 448.5389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C27H20N4OS/c32-27(30-21-9-11-22(12-10-21)33-18-19-5-3-13-28-16-19)24-15-26(20-6-4-14-29-17-20)31-25-8-2-1-7-23(24)25/h1-17H,18H2,(H,30,32)