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

Systemtic Name: 3-[(4-chlorophenyl)amino]-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-chloroanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one CAS Name: 3-(4-chloroanilino)-4-[(2-nitrophenyl)thio]-2H-isoquinolin-1-one IUPAC Name: 3-(4-chloroanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Traditional Name: 3-(4-chloroanilino)-4-[(2-nitrophenyl)thio]isocarbostyril Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3S/c22-13-9-11-14(12-10-13)23-20-19(15-5-1-2-6-16(15)21(26)24-20)29-18-8-4-3-7-17(18)25(27)28/h1-12H,(H2,23,24,26)