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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(3-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=CN=CC=C5)C#N

Isomeric SMILES

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

InChI

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