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

Systemtic Name: 2-ethanoyl-3-[(4-fluorophenyl)amino]-4-(2-nitrophenyl)sulfanyl-isoquinolin-1-one Openeye Name: 2-acetyl-3-(4-fluoroanilino)-4-(2-nitrophenyl)sulfanyl-isoquinolin-1-one CAS Name: 2-acetyl-3-(4-fluoroanilino)-4-[(2-nitrophenyl)thio]-1-isoquinolinone IUPAC Name: 2-acetyl-3-(4-fluoroanilino)-4-(2-nitrophenyl)sulfanylisoquinolin-1-one Traditional Name: 2-acetyl-3-(4-fluoroanilino)-4-[(2-nitrophenyl)thio]isocarbostyril Formula: C23H16FN3O4S MolecularWeight: 449.454243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(C2=CC=CC=C2C1=O)SC3=CC=CC=C3[N+](=O)[O-])NC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1C(=C(C2=CC=CC=C2C1=O)SC3=CC=CC=C3[N+](=O)[O-])NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H16FN3O4S/c1-14(28)26-22(25-16-12-10-15(24)11-13-16)21(17-6-2-3-7-18(17)23(26)29)32-20-9-5-4-8-19(20)27(30)31/h2-13,25H,1H3