4-(2,5-dimethylphenyl)-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[4-(methylthio)benzyl]amino]methyl]phthalazin-1-one Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H27N3OS/c1-18-9-10-19(2)24(15-18)25-22-7-5-6-8-23(22)26(30)29(27-25)17-28(3)16-20-11-13-21(31-4)14-12-20/h5-15H,16-17H2,1-4H3