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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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