5-(3-fluoranyl-4-methylsulfonyl-phenyl)-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 5-(3-fluoranyl-4-methylsulfonyl-phenyl)-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole Openeye Name: 1-benzyl-5-(3-fluoro-4-methylsulfonyl-phenyl)-3-(trifluoromethyl)pyrazole CAS Name: 5-(3-fluoro-4-methylsulfonylphenyl)-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 1-benzyl-5-(3-fluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 1-benzyl-5-(3-fluoro-4-mesyl-phenyl)-3-(trifluoromethyl)pyrazole Formula: C18H14F4N2O2S MolecularWeight: 398.374573

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=CC=C3)C(F)(F)F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=CC=C3)C(F)(F)F)F

InChI

InChI=1S/C18H14F4N2O2S/c1-27(25,26)16-8-7-13(9-14(16)19)15-10-17(18(20,21)22)23-24(15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3