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

Systemtic Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol Openeye Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol CAS Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-1-propanol IUPAC Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol Traditional Name: 3-(4-bromophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-ol Formula: C16H20BrN3O3 MolecularWeight: 382.2523

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCOC1)C(C(CC2=CC=C(C=C2)Br)N3C=NC=N3)O

Isomeric SMILES

CC1(COCOC1)C(C(CC2=CC=C(C=C2)Br)N3C=NC=N3)O

InChI

InChI=1S/C16H20BrN3O3/c1-16(7-22-11-23-8-16)15(21)14(20-10-18-9-19-20)6-12-2-4-13(17)5-3-12/h2-5,9-10,14-15,21H,6-8,11H2,1H3