[5-(4-fluorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol

Systemtic Name: [5-(4-fluorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol Openeye Name: [5-(4-fluorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol CAS Name: [5-(4-fluorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methanethiol IUPAC Name: [5-(4-fluorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol Traditional Name: [5-(4-fluorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol Formula: C12H10F4N2O2S2 MolecularWeight: 354.343613

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)CS)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)CS)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H10F4N2O2S2/c1-18-11(9(6-21)10(17-18)12(14,15)16)22(19,20)8-4-2-7(13)3-5-8/h2-5,21H,6H2,1H3