2-methyl-4-(4-methylsulfanylphenyl)phthalazin-1-one

Systemtic Name: 2-methyl-4-(4-methylsulfanylphenyl)phthalazin-1-one Openeye Name: 2-methyl-4-(4-methylsulfanylphenyl)phthalazin-1-one CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-(4-methylsulfanylphenyl)phthalazin-1-one Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]phthalazin-1-one Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)SC

InChI

InChI=1S/C16H14N2OS/c1-18-16(19)14-6-4-3-5-13(14)15(17-18)11-7-9-12(20-2)10-8-11/h3-10H,1-2H3