1-(1-adamantyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methylsulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methylsulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)-3-pyridyl]methylsulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methylthio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methylsulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)-3-pyridyl]methylthio]ethanone Formula: C19H22F3NOS MolecularWeight: 369.44429

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSCC4=CN=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSCC4=CN=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H22F3NOS/c20-19(21,22)16-2-1-12(9-23-16)10-25-11-17(24)18-6-13-3-14(7-18)5-15(4-13)8-18/h1-2,9,13-15H,3-8,10-11H2