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

Systemtic Name: 3-[5-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1-adamantylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C19H29N5O2S MolecularWeight: 391.53086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CCC(=O)N

InChI

InChI=1S/C19H29N5O2S/c1-2-24-16(4-3-15(20)25)22-23-18(24)27-11-17(26)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,2-11H2,1H3,(H2,20,25)(H,21,26)