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

Systemtic Name: 6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-N-ethyl-pyridine-3-carboxamide Openeye Name: 6-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-N-ethyl-pyridine-3-carboxamide CAS Name: 6-[[2-(1-adamantyl)-2-oxoethyl]thio]-N-ethyl-3-pyridinecarboxamide IUPAC Name: 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-ethylpyridine-3-carboxamide Traditional Name: 6-[[2-(1-adamantyl)-2-keto-ethyl]thio]-N-ethyl-nicotinamide Formula: C20H26N2O2S MolecularWeight: 358.49764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN=C(C=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCNC(=O)C1=CN=C(C=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O2S/c1-2-21-19(24)16-3-4-18(22-11-16)25-12-17(23)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,11,13-15H,2,5-10,12H2,1H3,(H,21,24)