3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylcyclohexan-1-one

Systemtic Name: 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylcyclohexan-1-one Openeye Name: 3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]cyclohexanone CAS Name: 3-[[5-(trifluoromethyl)-2-pyridinyl]thio]-1-cyclohexanone IUPAC Name: 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylcyclohexan-1-one Traditional Name: 3-[[5-(trifluoromethyl)-2-pyridyl]thio]cyclohexanone Formula: C12H12F3NOS MolecularWeight: 275.28999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CC(CC(=O)C1)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3NOS/c13-12(14,15)8-4-5-11(16-7-8)18-10-3-1-2-9(17)6-10/h4-5,7,10H,1-3,6H2