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

Systemtic Name: 4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-(4-bromophenyl)-3-(4-mesylphenyl)-5-(trifluoromethyl)-1H-pyrazole Formula: C17H12BrF3N2O2S MolecularWeight: 445.25359

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C17H12BrF3N2O2S/c1-26(24,25)13-8-4-11(5-9-13)15-14(10-2-6-12(18)7-3-10)16(23-22-15)17(19,20)21/h2-9H,1H3,(H,22,23)