S-(4-tert-butylphenyl) 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carbothioate

Systemtic Name: S-(4-tert-butylphenyl) 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carbothioate Openeye Name: S-(4-tert-butylphenyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carbothioate CAS Name: 6-(2,2,2-trifluoroethoxy)-3-pyridinecarbothioic acid S-(4-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carbothioate Traditional Name: 6-(2,2,2-trifluoroethoxy)pyridine-3-carbothioic acid S-(4-tert-butylphenyl) ester Formula: C18H18F3NO2S MolecularWeight: 369.40123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(=O)C2=CN=C(C=C2)OCC(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(=O)C2=CN=C(C=C2)OCC(F)(F)F

InChI

InChI=1S/C18H18F3NO2S/c1-17(2,3)13-5-7-14(8-6-13)25-16(23)12-4-9-15(22-10-12)24-11-18(19,20)21/h4-10H,11H2,1-3H3