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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C25H23F3N2OS MolecularWeight: 456.52313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23F3N2OS/c26-25(27,28)20-9-21(18-4-2-1-3-5-18)30-23(19(20)13-29)32-14-22(31)24-10-15-6-16(11-24)8-17(7-15)12-24/h1-5,9,15-17H,6-8,10-12,14H2