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

Systemtic Name: 3-[(4-methylphenyl)amino]-4-(4-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-methylanilino)-4-(4-nitrophenyl)sulfanyl-2H-isoquinolin-1-one CAS Name: 3-(4-methylanilino)-4-[(4-nitrophenyl)thio]-2H-isoquinolin-1-one IUPAC Name: 3-(4-methylanilino)-4-(4-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Traditional Name: 4-[(4-nitrophenyl)thio]-3-(p-toluidino)isocarbostyril Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c1-14-6-8-15(9-7-14)23-21-20(18-4-2-3-5-19(18)22(26)24-21)29-17-12-10-16(11-13-17)25(27)28/h2-13H,1H3,(H2,23,24,26)