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

Systemtic Name: 3-[(4-fluorophenyl)amino]-4-(4-methylphenyl)sulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-fluoroanilino)-4-(p-tolylsulfanyl)-2H-isoquinolin-1-one CAS Name: 3-(4-fluoroanilino)-4-[(4-methylphenyl)thio]-2H-isoquinolin-1-one IUPAC Name: 3-(4-fluoroanilino)-4-(4-methylphenyl)sulfanyl-2H-isoquinolin-1-one Traditional Name: 3-(4-fluoroanilino)-4-(p-tolylthio)isocarbostyril Formula: C22H17FN2OS MolecularWeight: 376.446583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2OS/c1-14-6-12-17(13-7-14)27-20-18-4-2-3-5-19(18)22(26)25-21(20)24-16-10-8-15(23)9-11-16/h2-13H,1H3,(H2,24,25,26)