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

Systemtic Name: 2-methyl-4-(4-methylsulfonylphenyl)phthalazin-1-one Openeye Name: 2-methyl-4-(4-methylsulfonylphenyl)phthalazin-1-one CAS Name: 2-methyl-4-(4-methylsulfonylphenyl)-1-phthalazinone IUPAC Name: 2-methyl-4-(4-methylsulfonylphenyl)phthalazin-1-one Traditional Name: 4-(4-mesylphenyl)-2-methyl-phthalazin-1-one Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c1-18-16(19)14-6-4-3-5-13(14)15(17-18)11-7-9-12(10-8-11)22(2,20)21/h3-10H,1-2H3