2-ethyl-4-[3-(4-ethylphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[3-(4-ethylphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[3-(4-ethylphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[3-(4-ethylphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[3-(4-ethylphenyl)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[3-(4-ethylphenyl)-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C=CC(=C2C)C(=O)C3=CNN(C3=O)CC)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C=CC(=C2C)C(=O)C3=CNN(C3=O)CC)S(=O)(=O)C

InChI

InChI=1S/C22H24N2O4S/c1-5-15-7-9-16(10-8-15)20-14(3)17(11-12-19(20)29(4,27)28)21(25)18-13-23-24(6-2)22(18)26/h7-13,23H,5-6H2,1-4H3