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

Systemtic Name: 6-(1-adamantyl)-2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[2-(1-adamantyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-[[2-(1-adamantyl)-2-keto-ethyl]thio]nicotinonitrile Formula: C28H34N2OS MolecularWeight: 446.64736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H34N2OS/c29-15-23-1-2-24(27-9-17-3-18(10-27)5-19(4-17)11-27)30-26(23)32-16-25(31)28-12-20-6-21(13-28)8-22(7-20)14-28/h1-2,17-22H,3-14,16H2