6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 6-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 6-[[2-(1-adamantyl)-2-oxoethyl]thio]-5-cyano-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 6-[[2-(1-adamantyl)-2-keto-ethyl]thio]-5-cyano-2-methyl-N-phenyl-nicotinamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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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)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S/c1-16-22(24(31)29-21-5-3-2-4-6-21)10-20(14-27)25(28-16)32-15-23(30)26-11-17-7-18(12-26)9-19(8-17)13-26/h2-6,10,17-19H,7-9,11-13,15H2,1H3,(H,29,31)