3-(4-bromophenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol

Systemtic Name: 3-(4-bromophenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol Openeye Name: 3-(4-bromophenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol CAS Name: 3-(4-bromophenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-1-propanol IUPAC Name: 3-(4-bromophenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol Traditional Name: 3-(4-bromophenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol Formula: C18H24BrN3O3 MolecularWeight: 410.30546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1OCC(CO1)(C)C(C(CC2=CC=C(C=C2)Br)N3C=NC=N3)O

Isomeric SMILES

CCC1OCC(CO1)(C)C(C(CC2=CC=C(C=C2)Br)N3C=NC=N3)O

InChI

InChI=1S/C18H24BrN3O3/c1-3-16-24-9-18(2,10-25-16)17(23)15(22-12-20-11-21-22)8-13-4-6-14(19)7-5-13/h4-7,11-12,15-17,23H,3,8-10H2,1-2H3