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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=COC(=C2C(=C1)C)C3(OCCO3)CN4C=NC=N4

Isomeric SMILES

CC1=CC2=COC(=C2C(=C1)C)C3(OCCO3)CN4C=NC=N4

InChI

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