5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propan-2-yl-phenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propan-2-yl-phenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 1-(4-isopropyl-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 1-(4-isopropyl-3-nitro-phenyl)-5-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N3O4S/c1-12(2)16-9-6-14(10-18(16)26(27)28)25-17(11-19(24-25)20(21,22)23)13-4-7-15(8-5-13)31(3,29)30/h4-12H,1-3H3