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

Systemtic Name: 3-[(4-fluorophenyl)amino]-4-phenylsulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-fluoroanilino)-4-phenylsulfanyl-2H-isoquinolin-1-one CAS Name: 3-(4-fluoroanilino)-4-(phenylthio)-2H-isoquinolin-1-one IUPAC Name: 3-(4-fluoroanilino)-4-phenylsulfanyl-2H-isoquinolin-1-one Traditional Name: 3-(4-fluoroanilino)-4-(phenylthio)isocarbostyril Formula: C21H15FN2OS MolecularWeight: 362.420003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN2OS/c22-14-10-12-15(13-11-14)23-20-19(26-16-6-2-1-3-7-16)17-8-4-5-9-18(17)21(25)24-20/h1-13H,(H2,23,24,25)