6,7,8-tris(fluoranyl)-2-(6-phenylhexylsulfanyl)-1H-quinolin-4-one

Systemtic Name: 6,7,8-tris(fluoranyl)-2-(6-phenylhexylsulfanyl)-1H-quinolin-4-one Openeye Name: 6,7,8-trifluoro-2-(6-phenylhexylsulfanyl)-1H-quinolin-4-one CAS Name: 6,7,8-trifluoro-2-(6-phenylhexylthio)-1H-quinolin-4-one IUPAC Name: 6,7,8-trifluoro-2-(6-phenylhexylsulfanyl)-1H-quinolin-4-one Traditional Name: 6,7,8-trifluoro-2-(6-phenylhexylthio)-4-quinolone Formula: C21H20F3NOS MolecularWeight: 391.44981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCSC2=CC(=O)C3=CC(=C(C(=C3N2)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCSC2=CC(=O)C3=CC(=C(C(=C3N2)F)F)F

InChI

InChI=1S/C21H20F3NOS/c22-16-12-15-17(26)13-18(25-21(15)20(24)19(16)23)27-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2,(H,25,26)