2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylcycloheptan-1-one

Systemtic Name: 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylcycloheptan-1-one Openeye Name: 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylcycloheptanone CAS Name: 2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]-1-cycloheptanone IUPAC Name: 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylcycloheptan-1-one Traditional Name: 2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]cycloheptanone Formula: C12H13F3N2OS MolecularWeight: 290.30463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C12H13F3N2OS/c13-12(14,15)10-6-7-16-11(17-10)19-9-5-3-1-2-4-8(9)18/h6-7,9H,1-5H2