2-(1-adamantylsulfanyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1-adamantylsulfanyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-(1-adamantylsulfanyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-(1-adamantylthio)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-(1-adamantylsulfanyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-(1-adamantylthio)-6-methyl-nicotinonitrile Formula: C17H20N2S MolecularWeight: 284.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H20N2S/c1-11-2-3-15(10-18)16(19-11)20-17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,12-14H,4-9H2,1H3