2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-7-methoxy-4-pyridin-3-yl-quinoline

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-7-methoxy-4-pyridin-3-yl-quinoline Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-7-methoxy-4-(3-pyridyl)quinoline CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-7-methoxy-4-(3-pyridinyl)quinoline IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-7-methoxy-4-pyridin-3-ylquinoline Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-7-methoxy-4-(3-pyridyl)quinoline Formula: C22H16ClFN2OS MolecularWeight: 410.891643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=C(C=C(C=C3)F)Cl)C4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=C(C=C(C=C3)F)Cl)C4=CN=CC=C4

InChI

InChI=1S/C22H16ClFN2OS/c1-27-17-6-7-18-19(14-3-2-8-25-12-14)11-22(26-21(18)10-17)28-13-15-4-5-16(24)9-20(15)23/h2-12H,13H2,1H3