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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=C1)C2=NC=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=NC=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)18-9-6-14(12-24-18)20(21,22)23/h4-12H,1-3H3