1-(1-adamantyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C18H20F3NOS MolecularWeight: 355.41771

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H20F3NOS/c19-18(20,21)14-1-2-16(22-9-14)24-10-15(23)17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13H,3-8,10H2