3-[2-(3-ethoxyhexylsulfonyl)phenyl]-5-phenyl-1-(trifluoromethyl)pyridine-4-thione

Systemtic Name: 3-[2-(3-ethoxyhexylsulfonyl)phenyl]-5-phenyl-1-(trifluoromethyl)pyridine-4-thione Openeye Name: 3-[2-(3-ethoxyhexylsulfonyl)phenyl]-5-phenyl-1-(trifluoromethyl)pyridine-4-thione CAS Name: 3-[2-(3-ethoxyhexylsulfonyl)phenyl]-5-phenyl-1-(trifluoromethyl)-4-pyridinethione IUPAC Name: 3-[2-(3-ethoxyhexylsulfonyl)phenyl]-5-phenyl-1-(trifluoromethyl)pyridine-4-thione Traditional Name: 3-[2-(3-ethoxyhexylsulfonyl)phenyl]-5-phenyl-1-(trifluoromethyl)pyridine-4-thione Formula: C26H28F3NO3S2 MolecularWeight: 523.63063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCS(=O)(=O)C1=CC=CC=C1C2=CN(C=C(C2=S)C3=CC=CC=C3)C(F)(F)F)OCC

Isomeric SMILES

CCCC(CCS(=O)(=O)C1=CC=CC=C1C2=CN(C=C(C2=S)C3=CC=CC=C3)C(F)(F)F)OCC

InChI

InChI=1S/C26H28F3NO3S2/c1-3-10-20(33-4-2)15-16-35(31,32)24-14-9-8-13-21(24)23-18-30(26(27,28)29)17-22(25(23)34)19-11-6-5-7-12-19/h5-9,11-14,17-18,20H,3-4,10,15-16H2,1-2H3