5-[1-(1-benzofuran-2-yl)-2,2-dipropoxy-ethyl]-1H-1,2,4-triazole

Systemtic Name: 5-[1-(1-benzofuran-2-yl)-2,2-dipropoxy-ethyl]-1H-1,2,4-triazole Openeye Name: 5-[1-(benzofuran-2-yl)-2,2-dipropoxy-ethyl]-1H-1,2,4-triazole CAS Name: 5-[1-(2-benzofuranyl)-2,2-dipropoxyethyl]-1H-1,2,4-triazole IUPAC Name: 5-[1-(1-benzofuran-2-yl)-2,2-dipropoxyethyl]-1H-1,2,4-triazole Traditional Name: 5-[1-(benzofuran-2-yl)-2,2-dipropoxy-ethyl]-1H-1,2,4-triazole Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C(C1=CC2=CC=CC=C2O1)C3=NC=NN3)OCCC

Isomeric SMILES

CCCOC(C(C1=CC2=CC=CC=C2O1)C3=NC=NN3)OCCC

InChI

InChI=1S/C18H23N3O3/c1-3-9-22-18(23-10-4-2)16(17-19-12-20-21-17)15-11-13-7-5-6-8-14(13)24-15/h5-8,11-12,16,18H,3-4,9-10H2,1-2H3,(H,19,20,21)