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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCO3)CC4=NC=NN4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCO3)CC4=NC=NN4)C

InChI

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