ethyl 5-(1-adamantyl)-1-(4-azanyl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(1-adamantyl)-1-(4-azanyl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(1-adamantyl)-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate CAS Name: 5-(1-adamantyl)-1-(4-amino-1,2,5-oxadiazol-3-yl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-adamantyl)-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate Traditional Name: 5-(1-adamantyl)-1-(4-aminofurazan-3-yl)triazole-4-carboxylic acid ethyl ester Formula: C17H22N6O3 MolecularWeight: 358.39498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C17H22N6O3/c1-2-25-16(24)12-13(23(22-19-12)15-14(18)20-26-21-15)17-6-9-3-10(7-17)5-11(4-9)8-17/h9-11H,2-8H2,1H3,(H2,18,20)