2-[8-(2-fluoranylphenoxy)-2,2-dimethyl-3-oxidanyl-octan-4-yl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[8-(2-fluoranylphenoxy)-2,2-dimethyl-3-oxidanyl-octan-4-yl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[5-(2-fluorophenoxy)-1-(1-hydroxy-2,2-dimethyl-propyl)pentyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[8-(2-fluorophenoxy)-3-hydroxy-2,2-dimethyloctan-4-yl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[8-(2-fluorophenoxy)-3-hydroxy-2,2-dimethyloctan-4-yl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[5-(2-fluorophenoxy)-1-(1-hydroxy-2,2-dimethyl-propyl)pentyl]-1H-1,2,4-triazole-3-thione Formula: C18H26FN3O2S MolecularWeight: 367.481343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(CCCCOC1=CC=CC=C1F)N2C(=S)N=CN2)O

Isomeric SMILES

CC(C)(C)C(C(CCCCOC1=CC=CC=C1F)N2C(=S)N=CN2)O

InChI

InChI=1S/C18H26FN3O2S/c1-18(2,3)16(23)14(22-17(25)20-12-21-22)9-6-7-11-24-15-10-5-4-8-13(15)19/h4-5,8,10,12,14,16,23H,6-7,9,11H2,1-3H3,(H,20,21,25)