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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-3-[(4-fluorophenyl)amino]-2H-isoquinolin-1-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-3-(4-fluoroanilino)-2H-isoquinolin-1-one CAS Name: 4-[(4-chlorophenyl)thio]-3-(4-fluoroanilino)-2H-isoquinolin-1-one IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3-(4-fluoroanilino)-2H-isoquinolin-1-one Traditional Name: 4-[(4-chlorophenyl)thio]-3-(4-fluoroanilino)isocarbostyril Formula: C21H14ClFN2OS MolecularWeight: 396.865063

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClFN2OS/c22-13-5-11-16(12-6-13)27-19-17-3-1-2-4-18(17)21(26)25-20(19)24-15-9-7-14(23)8-10-15/h1-12H,(H2,24,25,26)