4-[(3,5-dimethylphenyl)methylsulfonyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: 4-[(3,5-dimethylphenyl)methylsulfonyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 4-[(3,5-dimethylphenyl)methylsulfonyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 4-[(3,5-dimethylphenyl)methylsulfonyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: 4-[(3,5-dimethylphenyl)methylsulfonyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 4-(3,5-dimethylbenzyl)sulfonyl-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H19N3O5S/c1-12-8-13(2)10-15(9-12)11-28(26,27)18-14(3)20-21(19(18)23)16-4-6-17(7-5-16)22(24)25/h4-10,18H,11H2,1-3H3