3-[5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C19H28N4O2S MolecularWeight: 376.51622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)CCC(=O)N

InChI

InChI=1S/C19H28N4O2S/c1-2-23-17(4-3-16(20)25)21-22-18(23)26-11-15(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,2-11H2,1H3,(H2,20,25)