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

Systemtic Name: 6-(1-adamantyl)-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-(3-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(3-pyridinylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(3-pyridylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C23H22F3N3S MolecularWeight: 429.50109

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)(F)F)C#N)SCC5=CN=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)(F)F)C#N)SCC5=CN=CC=C5

InChI

InChI=1S/C23H22F3N3S/c24-23(25,26)19-7-20(22-8-15-4-16(9-22)6-17(5-15)10-22)29-21(18(19)11-27)30-13-14-2-1-3-28-12-14/h1-3,7,12,15-17H,4-6,8-10,13H2