2-tert-butyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one

Systemtic Name: 2-tert-butyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one Openeye Name: 2-tert-butyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one CAS Name: 2-tert-butyl-4-[[4-(methylthio)phenyl]methyl]-1-phthalazinone IUPAC Name: 2-tert-butyl-4-[(4-methylsulfanylphenyl)methyl]phthalazin-1-one Traditional Name: 2-tert-butyl-4-[4-(methylthio)benzyl]phthalazin-1-one Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H22N2OS/c1-20(2,3)22-19(23)17-8-6-5-7-16(17)18(21-22)13-14-9-11-15(24-4)12-10-14/h5-12H,13H2,1-4H3