pentyl 1-(6-phenylpyridazin-3-yl)-1,2,3-triazole-4-carboxylate

Systemtic Name: pentyl 1-(6-phenylpyridazin-3-yl)-1,2,3-triazole-4-carboxylate Openeye Name: pentyl 1-(6-phenylpyridazin-3-yl)triazole-4-carboxylate CAS Name: 1-(6-phenyl-3-pyridazinyl)-4-triazolecarboxylic acid pentyl ester IUPAC Name: pentyl 1-(6-phenylpyridazin-3-yl)triazole-4-carboxylate Traditional Name: 1-(6-phenylpyridazin-3-yl)triazole-4-carboxylic acid amyl ester Formula: C18H19N5O2 MolecularWeight: 337.37576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CN(N=N1)C2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)C1=CN(N=N1)C2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O2/c1-2-3-7-12-25-18(24)16-13-23(22-20-16)17-11-10-15(19-21-17)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12H2,1H3