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

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-(3-pyridyl)cinchoninamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCCSCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C22H19N3O2S/c26-22(24-10-12-28-15-17-6-4-11-27-17)19-13-21(16-5-3-9-23-14-16)25-20-8-2-1-7-18(19)20/h1-9,11,13-14H,10,12,15H2,(H,24,26)