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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H21F3N2OS MolecularWeight: 394.45375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H21F3N2OS/c1-11-2-16(20(21,22)23)15(9-24)18(25-11)27-10-17(26)19-6-12-3-13(7-19)5-14(4-12)8-19/h2,12-14H,3-8,10H2,1H3