6-(1-adamantyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C18H19F3N2S MolecularWeight: 352.41707

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

InChI

InChI=1S/C18H19F3N2S/c1-24-16-13(9-22)14(18(19,20)21)5-15(23-16)17-6-10-2-11(7-17)4-12(3-10)8-17/h5,10-12H,2-4,6-8H2,1H3