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

Systemtic Name: 2-[3,3-diethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine Openeye Name: 2-[3,3-diethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine CAS Name: 2-[3,3-diethyl-5-(4-methylsulfonylphenyl)-1-cyclopenta-1,4-dienyl]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[3,3-diethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine Traditional Name: 2-[3,3-diethyl-5-(4-mesylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine Formula: C22H22F3NO2S MolecularWeight: 421.47579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(C(=C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)CC

Isomeric SMILES

CCC1(C=C(C(=C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)CC

InChI

InChI=1S/C22H22F3NO2S/c1-4-21(5-2)12-18(15-6-9-17(10-7-15)29(3,27)28)19(13-21)20-11-8-16(14-26-20)22(23,24)25/h6-14H,4-5H2,1-3H3