7-fluoranyl-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 7-fluoranyl-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide Openeye Name: 7-fluoro-2-methyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]quinoline-4-carboxamide CAS Name: 7-fluoro-2-methyl-N-[4-(3-pyridinylmethylthio)phenyl]-4-quinolinecarboxamide IUPAC Name: 7-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide Traditional Name: 7-fluoro-2-methyl-N-[4-(3-pyridylmethylthio)phenyl]cinchoninamide Formula: C23H18FN3OS MolecularWeight: 403.471923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H18FN3OS/c1-15-11-21(20-9-4-17(24)12-22(20)26-15)23(28)27-18-5-7-19(8-6-18)29-14-16-3-2-10-25-13-16/h2-13H,14H2,1H3,(H,27,28)