2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-12-13(2)18(10-22)20(23-14(12)3)25-11-19(24)21-7-15-4-16(8-21)6-17(5-15)9-21/h15-17H,4-9,11H2,1-3H3