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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)SC

InChI

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