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

Systemtic Name: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyrrol-2-yl]methyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyrrol-2-yl]methyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[5-[(2,4-dichlorophenyl)methylthio]-1-methyl-2-pyrrolyl]methyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-1-methylpyrrol-2-yl]methyl]-2-methylphthalazin-1-one Traditional Name: 4-[[5-[(2,4-dichlorobenzyl)thio]-1-methyl-pyrrol-2-yl]methyl]-2-methyl-phthalazin-1-one Formula: C22H19Cl2N3OS MolecularWeight: 444.37676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1SCC2=C(C=C(C=C2)Cl)Cl)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CN1C(=CC=C1SCC2=C(C=C(C=C2)Cl)Cl)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H19Cl2N3OS/c1-26-16(9-10-21(26)29-13-14-7-8-15(23)11-19(14)24)12-20-17-5-3-4-6-18(17)22(28)27(2)25-20/h3-11H,12-13H2,1-2H3