7-(4-methylphenyl)-9-[5,6,7,8-tetrakis(chloranyl)-4-(3,4-dimethylphenyl)phthalazin-1-yl]sulfanyl-2,4,8,9-tetrahydropyridazino[6,1-c][1,2,4]triazin-3-one

Systemtic Name: 7-(4-methylphenyl)-9-[5,6,7,8-tetrakis(chloranyl)-4-(3,4-dimethylphenyl)phthalazin-1-yl]sulfanyl-2,4,8,9-tetrahydropyridazino[6,1-c][1,2,4]triazin-3-one Openeye Name: 7-(p-tolyl)-9-[5,6,7,8-tetrachloro-4-(3,4-dimethylphenyl)phthalazin-1-yl]sulfanyl-2,4,8,9-tetrahydropyridazino[6,1-c][1,2,4]triazin-3-one CAS Name: 7-(4-methylphenyl)-9-[[5,6,7,8-tetrachloro-4-(3,4-dimethylphenyl)-1-phthalazinyl]thio]-2,4,8,9-tetrahydropyridazino[6,1-c][1,2,4]triazin-3-one IUPAC Name: 7-(4-methylphenyl)-9-[5,6,7,8-tetrachloro-4-(3,4-dimethylphenyl)phthalazin-1-yl]sulfanyl-2,4,8,9-tetrahydropyridazino[6,1-c][1,2,4]triazin-3-one Traditional Name: 7-(p-tolyl)-9-[[5,6,7,8-tetrachloro-4-(3,4-dimethylphenyl)phthalazin-1-yl]thio]-2,4,8,9-tetrahydropyridazino[6,1-c][1,2,4]triazin-3-one Formula: C29H22Cl4N6OS MolecularWeight: 644.40158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3CC(=O)NN=C3C(C2)SC4=NN=C(C5=C4C(=C(C(=C5Cl)Cl)Cl)Cl)C6=CC(=C(C=C6)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3CC(=O)NN=C3C(C2)SC4=NN=C(C5=C4C(=C(C(=C5Cl)Cl)Cl)Cl)C6=CC(=C(C=C6)C)C

InChI

InChI=1S/C29H22Cl4N6OS/c1-13-4-7-16(8-5-13)18-11-19(28-36-34-20(40)12-39(28)38-18)41-29-22-21(23(30)25(32)26(33)24(22)31)27(35-37-29)17-9-6-14(2)15(3)10-17/h4-10,19H,11-12H2,1-3H3,(H,34,40)