2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(2-furyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(2-furanyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(2-furyl)-4-(trifluoromethyl)nicotinonitrile Formula: C23H21F3N2O2S MolecularWeight: 446.48525

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CO5)C(F)(F)F)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CO5)C(F)(F)F)C#N

InChI

InChI=1S/C23H21F3N2O2S/c24-23(25,26)17-7-18(19-2-1-3-30-19)28-21(16(17)11-27)31-12-20(29)22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,7,13-15H,4-6,8-10,12H2