5-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-2-(trifluoromethyl)pyridine

Systemtic Name: 5-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-2-(trifluoromethyl)pyridine Openeye Name: 5-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-2-(trifluoromethyl)pyridine CAS Name: 5-[3,3-dimethyl-5-(4-methylsulfonylphenyl)-1-cyclopenta-1,4-dienyl]-2-(trifluoromethyl)pyridine IUPAC Name: 5-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-2-(trifluoromethyl)pyridine Traditional Name: 5-[5-(4-mesylphenyl)-3,3-dimethyl-cyclopenta-1,4-dien-1-yl]-2-(trifluoromethyl)pyridine Formula: C20H18F3NO2S MolecularWeight: 393.42263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=C1)C2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1(C=C(C(=C1)C2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H18F3NO2S/c1-19(2)10-16(13-4-7-15(8-5-13)27(3,25)26)17(11-19)14-6-9-18(24-12-14)20(21,22)23/h4-12H,1-3H3