5-(2,4-dichlorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1H-pyrazol-3-one

Systemtic Name: 5-(2,4-dichlorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1H-pyrazol-3-one Openeye Name: 5-(2,4-dichlorophenyl)-2-methyl-4-(p-tolylsulfonylmethyl)-1H-pyrazol-3-one CAS Name: 5-(2,4-dichlorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1H-pyrazol-3-one IUPAC Name: 5-(2,4-dichlorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1H-pyrazol-3-one Traditional Name: 5-(2,4-dichlorophenyl)-2-methyl-4-(tosylmethyl)-3-pyrazolin-3-one Formula: C18H16Cl2N2O3S MolecularWeight: 411.30224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(NN(C2=O)C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(NN(C2=O)C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H16Cl2N2O3S/c1-11-3-6-13(7-4-11)26(24,25)10-15-17(21-22(2)18(15)23)14-8-5-12(19)9-16(14)20/h3-9,21H,10H2,1-2H3