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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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