2,6-dimethyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one

Systemtic Name: 2,6-dimethyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one Openeye Name: 2,6-dimethyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one CAS Name: 2,6-dimethyl-4-[[4-(methylthio)phenyl]methyl]-1-phthalazinone IUPAC Name: 2,6-dimethyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one Traditional Name: 2,6-dimethyl-4-[4-(methylthio)benzyl]phthalazin-1-one Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(N=C2CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(N=C2CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C18H18N2OS/c1-12-4-9-15-16(10-12)17(19-20(2)18(15)21)11-13-5-7-14(22-3)8-6-13/h4-10H,11H2,1-3H3