2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

InChI

InChI=1S/C21H24N2O2S/c1-12-18(13(2)24)6-17(10-22)20(23-12)26-11-19(25)21-7-14-3-15(8-21)5-16(4-14)9-21/h6,14-16H,3-5,7-9,11H2,1-2H3