4-[2,6-bis(chloranyl)phenyl]-7-(2-fluoranyl-4-methyl-phenyl)sulfanyl-2H-isoquinolin-3-one

Systemtic Name: 4-[2,6-bis(chloranyl)phenyl]-7-(2-fluoranyl-4-methyl-phenyl)sulfanyl-2H-isoquinolin-3-one Openeye Name: 4-(2,6-dichlorophenyl)-7-(2-fluoro-4-methyl-phenyl)sulfanyl-2H-isoquinolin-3-one CAS Name: 4-(2,6-dichlorophenyl)-7-[(2-fluoro-4-methylphenyl)thio]-2H-isoquinolin-3-one IUPAC Name: 4-(2,6-dichlorophenyl)-7-(2-fluoro-4-methylphenyl)sulfanyl-2H-isoquinolin-3-one Traditional Name: 4-(2,6-dichlorophenyl)-7-[(2-fluoro-4-methyl-phenyl)thio]-3-isoquinolone Formula: C22H14Cl2FNOS MolecularWeight: 430.322063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC3=CNC(=O)C(=C3C=C2)C4=C(C=CC=C4Cl)Cl)F

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC3=CNC(=O)C(=C3C=C2)C4=C(C=CC=C4Cl)Cl)F

InChI

InChI=1S/C22H14Cl2FNOS/c1-12-5-8-19(18(25)9-12)28-14-6-7-15-13(10-14)11-26-22(27)20(15)21-16(23)3-2-4-17(21)24/h2-11H,1H3,(H,26,27)