1,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-3-one

Systemtic Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-3-one Openeye Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-3-one CAS Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenyl-3-pyrazolone IUPAC Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenylpyrazol-3-one Traditional Name: 5-(4-mesylphenyl)-1,2-dimethyl-4-phenyl-3-pyrazolin-3-one Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=O)N1C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O3S/c1-19-17(14-9-11-15(12-10-14)24(3,22)23)16(18(21)20(19)2)13-7-5-4-6-8-13/h4-12H,1-3H3