4-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-(4-mesylphenyl)-3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole Formula: C17H12F3N3O4S MolecularWeight: 411.35509

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H12F3N3O4S/c1-28(26,27)13-8-4-10(5-9-13)14-15(21-22-16(14)17(18,19)20)11-2-6-12(7-3-11)23(24)25/h2-9H,1H3,(H,21,22)