3-(4-methylsulfonylphenyl)-2-(2-oxidanylsulfanylethoxy)-5-(trifluoromethyl)pyridine

Systemtic Name: 3-(4-methylsulfonylphenyl)-2-(2-oxidanylsulfanylethoxy)-5-(trifluoromethyl)pyridine Openeye Name: 2-(2-hydroxysulfanylethoxy)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine CAS Name: 2-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanesulfenic acid IUPAC Name: 2-(2-hydroxysulfanylethoxy)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine Traditional Name: 3-(4-mesylphenyl)-2-(2-sulfenoethoxy)-5-(trifluoromethyl)pyridine Formula: C15H14F3NO4S2 MolecularWeight: 393.40117

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2OCCSO)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2OCCSO)C(F)(F)F

InChI

InChI=1S/C15H14F3NO4S2/c1-25(21,22)12-4-2-10(3-5-12)13-8-11(15(16,17)18)9-19-14(13)23-6-7-24-20/h2-5,8-9,20H,6-7H2,1H3