1-[1-(2-bromanyl-4-fluoranyl-phenoxy)-4,5,5-trimethyl-4-propoxy-hexan-3-yl]-1,2,4-triazole

Systemtic Name: 1-[1-(2-bromanyl-4-fluoranyl-phenoxy)-4,5,5-trimethyl-4-propoxy-hexan-3-yl]-1,2,4-triazole Openeye Name: 1-[1-[2-(2-bromo-4-fluoro-phenoxy)ethyl]-2,3,3-trimethyl-2-propoxy-butyl]-1,2,4-triazole CAS Name: 1-[1-(2-bromo-4-fluorophenoxy)-4,5,5-trimethyl-4-propoxyhexan-3-yl]-1,2,4-triazole IUPAC Name: 1-[1-(2-bromo-4-fluorophenoxy)-4,5,5-trimethyl-4-propoxyhexan-3-yl]-1,2,4-triazole Traditional Name: 1-[1-[2-(2-bromo-4-fluoro-phenoxy)ethyl]-2,3,3-trimethyl-2-propoxy-butyl]-1,2,4-triazole Formula: C20H29BrFN3O2 MolecularWeight: 442.365563

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C)(C(CCOC1=C(C=C(C=C1)F)Br)N2C=NC=N2)C(C)(C)C

Isomeric SMILES

CCCOC(C)(C(CCOC1=C(C=C(C=C1)F)Br)N2C=NC=N2)C(C)(C)C

InChI

InChI=1S/C20H29BrFN3O2/c1-6-10-27-20(5,19(2,3)4)18(25-14-23-13-24-25)9-11-26-17-8-7-15(22)12-16(17)21/h7-8,12-14,18H,6,9-11H2,1-5H3