5-[(4-fluorophenyl)methylsulfanyl]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-fluorophenyl)methylsulfanyl]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-[(4-fluorophenyl)methylsulfanyl]-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(4-fluorophenyl)methylthio]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-fluorophenyl)methylsulfanyl]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-[(4-fluorobenzyl)thio]-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H12F4N4O2S2 MolecularWeight: 456.437093

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H12F4N4O2S2/c1-30(27,28)13-6-7-15(24-9-13)26-17(14(8-23)16(25-26)18(20,21)22)29-10-11-2-4-12(19)5-3-11/h2-7,9H,10H2,1H3