2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-4-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-4-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(4-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-pyridin-4-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-pyridin-4-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(4-pyridyl)nicotinonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C=CC(=N4)C5=CC=NC=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C=CC(=N4)C5=CC=NC=C5)C#N

InChI

InChI=1S/C23H23N3OS/c24-13-19-1-2-20(18-3-5-25-6-4-18)26-22(19)28-14-21(27)23-10-15-7-16(11-23)9-17(8-15)12-23/h1-6,15-17H,7-12,14H2