1-[[4-ethyl-2-(5-methyl-2-benzofuran-1-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

Systemtic Name: 1-[[4-ethyl-2-(5-methyl-2-benzofuran-1-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[4-ethyl-2-(5-methylisobenzofuran-1-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[4-ethyl-2-(5-methyl-1-isobenzofuranyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole IUPAC Name: 1-[[4-ethyl-2-(5-methyl-2-benzofuran-1-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[4-ethyl-2-(5-methylisobenzofuran-1-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Formula: C17H19N3O3 MolecularWeight: 313.35106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(O1)(CN2C=NC=N2)C3=C4C=CC(=CC4=CO3)C

Isomeric SMILES

CCC1COC(O1)(CN2C=NC=N2)C3=C4C=CC(=CC4=CO3)C

InChI

InChI=1S/C17H19N3O3/c1-3-14-8-22-17(23-14,9-20-11-18-10-19-20)16-15-5-4-12(2)6-13(15)7-21-16/h4-7,10-11,14H,3,8-9H2,1-2H3