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

Systemtic Name: 5-[[2-(1-benzofuran-2-yl)-5-ethyl-5-methyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Openeye Name: 5-[[2-(benzofuran-2-yl)-5-ethyl-5-methyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole CAS Name: 5-[[2-(2-benzofuranyl)-5-ethyl-5-methyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole IUPAC Name: 5-[[2-(1-benzofuran-2-yl)-5-ethyl-5-methyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Traditional Name: 5-[[2-(benzofuran-2-yl)-5-ethyl-5-methyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC(OC1)(CC2=NC=NN2)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCC1(COC(OC1)(CC2=NC=NN2)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C18H21N3O3/c1-3-17(2)10-22-18(23-11-17,9-16-19-12-20-21-16)15-8-13-6-4-5-7-14(13)24-15/h4-8,12H,3,9-11H2,1-2H3,(H,19,20,21)