1-[[2-(5,7-dimethyl-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

Systemtic Name: 1-[[2-(5,7-dimethyl-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[2-(5,7-dimethylbenzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[2-(5,7-dimethyl-2-benzofuranyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole IUPAC Name: 1-[[2-(5,7-dimethyl-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[2-(5,7-dimethylbenzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCO3)CN4C=NC=N4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCO3)CN4C=NC=N4)C

InChI

InChI=1S/C16H17N3O3/c1-11-5-12(2)15-13(6-11)7-14(22-15)16(20-3-4-21-16)8-19-10-17-9-18-19/h5-7,9-10H,3-4,8H2,1-2H3