3-[[3-(4-fluoranylphenoxy)-1,2,4-triazol-1-yl]methyl]-1-iodanyl-4,4-dimethyl-pent-1-yn-3-ol

Systemtic Name: 3-[[3-(4-fluoranylphenoxy)-1,2,4-triazol-1-yl]methyl]-1-iodanyl-4,4-dimethyl-pent-1-yn-3-ol Openeye Name: 3-[[3-(4-fluorophenoxy)-1,2,4-triazol-1-yl]methyl]-1-iodo-4,4-dimethyl-pent-1-yn-3-ol CAS Name: 3-[[3-(4-fluorophenoxy)-1,2,4-triazol-1-yl]methyl]-1-iodo-4,4-dimethyl-1-pentyn-3-ol IUPAC Name: 3-[[3-(4-fluorophenoxy)-1,2,4-triazol-1-yl]methyl]-1-iodo-4,4-dimethylpent-1-yn-3-ol Traditional Name: 3-[[3-(4-fluorophenoxy)-1,2,4-triazol-1-yl]methyl]-1-iodo-4,4-dimethyl-pent-1-yn-3-ol Formula: C16H17FIN3O2 MolecularWeight: 429.227953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=NC(=N1)OC2=CC=C(C=C2)F)(C#CI)O

Isomeric SMILES

CC(C)(C)C(CN1C=NC(=N1)OC2=CC=C(C=C2)F)(C#CI)O

InChI

InChI=1S/C16H17FIN3O2/c1-15(2,3)16(22,8-9-18)10-21-11-19-14(20-21)23-13-6-4-12(17)5-7-13/h4-7,11,22H,10H2,1-3H3