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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(methoxymethyl)-4-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(methoxymethyl)-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(methoxymethyl)-4-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(methoxymethyl)-4-methyl-nicotinonitrile Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-13-3-17(11-25-2)23-20(18(13)10-22)26-12-19(24)21-7-14-4-15(8-21)6-16(5-14)9-21/h3,14-16H,4-9,11-12H2,1-2H3