6-(1-adamantyl)-4-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-4-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-(1-adamantyl)-4-methyl-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-4-methyl-2-(2-oxopropylthio)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-4-methyl-2-(2-oxopropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-(1-adamantyl)-4-methyl-nicotinonitrile Formula: C20H24N2OS MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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