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

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

CC1COC(O1)(CN2C=NC=N2)C3=C4C=CC(=CC4=CO3)C

Isomeric SMILES

CC1COC(O1)(CN2C=NC=N2)C3=C4C=CC(=CC4=CO3)C

InChI

InChI=1S/C16H17N3O3/c1-11-3-4-14-13(5-11)7-20-15(14)16(21-6-12(2)22-16)8-19-10-17-9-18-19/h3-5,7,9-10,12H,6,8H2,1-2H3