3-[(4-fluorophenyl)amino]-4-(4-fluorophenyl)sulfanyl-2H-isoquinolin-1-one

Systemtic Name: 3-[(4-fluorophenyl)amino]-4-(4-fluorophenyl)sulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-fluoroanilino)-4-(4-fluorophenyl)sulfanyl-2H-isoquinolin-1-one CAS Name: 3-(4-fluoroanilino)-4-[(4-fluorophenyl)thio]-2H-isoquinolin-1-one IUPAC Name: 3-(4-fluoroanilino)-4-(4-fluorophenyl)sulfanyl-2H-isoquinolin-1-one Traditional Name: 3-(4-fluoroanilino)-4-[(4-fluorophenyl)thio]isocarbostyril Formula: C21H14F2N2OS MolecularWeight: 380.410466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)F)SC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)F)SC4=CC=C(C=C4)F

InChI

InChI=1S/C21H14F2N2OS/c22-13-5-9-15(10-6-13)24-20-19(27-16-11-7-14(23)8-12-16)17-3-1-2-4-18(17)21(26)25-20/h1-12H,(H2,24,25,26)