2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-7-methoxy-3-phenyl-quinoline

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-7-methoxy-3-phenyl-quinoline Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-7-methoxy-3-phenyl-quinoline CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-7-methoxy-3-phenylquinoline IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-7-methoxy-3-phenylquinoline Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-7-methoxy-3-phenyl-quinoline Formula: C25H20FNO3S MolecularWeight: 433.494603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C25H20FNO3S/c1-28-21-8-7-17-11-22(16-5-3-2-4-6-16)25(27-23(17)12-21)31-14-19-10-20(26)9-18-13-29-15-30-24(18)19/h2-12H,13-15H2,1H3