4-[[5-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-pyrrol-2-yl]methyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[5-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-pyrrol-2-yl]methyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[[5-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1-methyl-pyrrol-2-yl]methyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[5-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]-1-methyl-2-pyrrolyl]methyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1-methylpyrrol-2-yl]methyl]-2-methylphthalazin-1-one Traditional Name: 4-[[5-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]-1-methyl-pyrrol-2-yl]methyl]-2-methyl-phthalazin-1-one Formula: C23H19Cl2N3O2S MolecularWeight: 472.38686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CN1C(=CC=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H19Cl2N3O2S/c1-27-15(12-20-16-5-3-4-6-17(16)23(30)28(2)26-20)8-10-22(27)31-13-21(29)18-9-7-14(24)11-19(18)25/h3-11H,12-13H2,1-2H3