[2-sulfanylidene-4-(trifluoromethyl)pyridin-1-yl] adamantane-1-carboxylate

Systemtic Name: [2-sulfanylidene-4-(trifluoromethyl)pyridin-1-yl] adamantane-1-carboxylate Openeye Name: [2-thioxo-4-(trifluoromethyl)-1-pyridyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-sulfanylidene-4-(trifluoromethyl)-1-pyridinyl] ester IUPAC Name: [2-sulfanylidene-4-(trifluoromethyl)pyridin-1-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-thioxo-4-(trifluoromethyl)-1-pyridyl] ester Formula: C17H18F3NO2S MolecularWeight: 357.39053

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)ON4C=CC(=CC4=S)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)ON4C=CC(=CC4=S)C(F)(F)F

InChI

InChI=1S/C17H18F3NO2S/c18-17(19,20)13-1-2-21(14(24)6-13)23-15(22)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9H2