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

Systemtic Name: 3-[(4-fluorophenyl)amino]-4-(2-nitrophenyl)sulfanyl-2-(phenylcarbonyl)isoquinolin-1-one Openeye Name: 2-benzoyl-3-(4-fluoroanilino)-4-(2-nitrophenyl)sulfanyl-isoquinolin-1-one CAS Name: 2-benzoyl-3-(4-fluoroanilino)-4-[(2-nitrophenyl)thio]-1-isoquinolinone IUPAC Name: 2-benzoyl-3-(4-fluoroanilino)-4-(2-nitrophenyl)sulfanylisoquinolin-1-one Traditional Name: 2-benzoyl-3-(4-fluoroanilino)-4-[(2-nitrophenyl)thio]isocarbostyril Formula: C28H18FN3O4S MolecularWeight: 511.523623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=C(C3=CC=CC=C3C2=O)SC4=CC=CC=C4[N+](=O)[O-])NC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=C(C3=CC=CC=C3C2=O)SC4=CC=CC=C4[N+](=O)[O-])NC5=CC=C(C=C5)F

InChI

InChI=1S/C28H18FN3O4S/c29-19-14-16-20(17-15-19)30-26-25(37-24-13-7-6-12-23(24)32(35)36)21-10-4-5-11-22(21)28(34)31(26)27(33)18-8-2-1-3-9-18/h1-17,30H