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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H24N2OS MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H24N2OS/c1-12-3-13(2)22-19(17(12)10-21)24-11-18(23)20-7-14-4-15(8-20)6-16(5-14)9-20/h3,14-16H,4-9,11H2,1-2H3