2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-methyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-methyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-amino-4-methyl-pyridine-3,5-dicarbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-amino-4-methylpyridine-3,5-dicarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-methylpyridine-3,5-dicarbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-amino-4-methyl-dinicotinonitrile Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-11-15(8-21)18(23)24-19(16(11)9-22)26-10-17(25)20-5-12-2-13(6-20)4-14(3-12)7-20/h12-14H,2-7,10H2,1H3,(H2,23,24)