2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[methyl-[4-(methylthio)benzyl]amino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3OS/c1-18-8-12-20(13-9-18)24-22-6-4-5-7-23(22)25(29)28(26-24)17-27(2)16-19-10-14-21(30-3)15-11-19/h4-15H,16-17H2,1-3H3