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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-keto-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Formula: C19H19F3N2O2S MolecularWeight: 396.42657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O2S/c20-19(21,22)14-4-16(26)24-17(13(14)8-23)27-9-15(25)18-5-10-1-11(6-18)3-12(2-10)7-18/h4,10-12H,1-3,5-7,9H2,(H,24,26)