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

Systemtic Name: 2-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine Openeye Name: 2-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine CAS Name: 2-[5-(4-methylsulfonylphenyl)-1-cyclopenta-1,4-dienyl]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine Traditional Name: 2-[5-(4-mesylphenyl)cyclopenta-1,4-dien-1-yl]-5-(trifluoromethyl)pyridine Formula: C18H14F3NO2S MolecularWeight: 365.36947

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CCC=C2C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CCC=C2C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3NO2S/c1-25(23,24)14-8-5-12(6-9-14)15-3-2-4-16(15)17-10-7-13(11-22-17)18(19,20)21/h3-11H,2H2,1H3