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

Systemtic Name: 6-(1-adamantyl)-2-(cyanomethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-(cyanomethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(cyanomethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-(cyanomethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(cyanomethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C19H18F3N3S MolecularWeight: 377.42653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3S/c20-19(21,22)15-6-16(25-17(14(15)10-24)26-2-1-23)18-7-11-3-12(8-18)5-13(4-11)9-18/h6,11-13H,2-5,7-9H2