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

Systemtic Name: 6-(1-adamantyl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-(4-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(pyridin-4-ylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

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