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

Systemtic Name: 6-(1-adamantyl)-2-(2-cyanoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-(2-cyanoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(2-cyanoethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-(2-cyanoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(2-cyanoethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C20H20F3N3S MolecularWeight: 391.45311

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)(F)F)C#N)SCCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)(F)F)C#N)SCCC#N

InChI

InChI=1S/C20H20F3N3S/c21-20(22,23)16-7-17(26-18(15(16)11-25)27-3-1-2-24)19-8-12-4-13(9-19)6-14(5-12)10-19/h7,12-14H,1,3-6,8-10H2