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

Systemtic Name: 3-[(4-fluorophenyl)amino]-4-(4-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-fluoroanilino)-4-(4-nitrophenyl)sulfanyl-2H-isoquinolin-1-one CAS Name: 3-(4-fluoroanilino)-4-[(4-nitrophenyl)thio]-2H-isoquinolin-1-one IUPAC Name: 3-(4-fluoroanilino)-4-(4-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Traditional Name: 3-(4-fluoroanilino)-4-[(4-nitrophenyl)thio]isocarbostyril Formula: C21H14FN3O3S MolecularWeight: 407.417563

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)F)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14FN3O3S/c22-13-5-7-14(8-6-13)23-20-19(17-3-1-2-4-18(17)21(26)24-20)29-16-11-9-15(10-12-16)25(27)28/h1-12H,(H2,23,24,26)