5-bromanyl-2-(2,2-dimethyl-1-oxidanyl-propyl)-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-3-ol

Systemtic Name: 5-bromanyl-2-(2,2-dimethyl-1-oxidanyl-propyl)-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-3-ol Openeye Name: 5-bromo-2-(1-hydroxy-2,2-dimethyl-propyl)-2-(1,2,4-triazol-1-yl)-3H-benzofuran-3-ol CAS Name: 5-bromo-2-(1-hydroxy-2,2-dimethylpropyl)-2-(1,2,4-triazol-1-yl)-3H-benzofuran-3-ol IUPAC Name: 5-bromo-2-(1-hydroxy-2,2-dimethylpropyl)-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-3-ol Traditional Name: 5-bromo-2-(1-hydroxy-2,2-dimethyl-propyl)-2-(1,2,4-triazol-1-yl)coumaran-3-ol Formula: C15H18BrN3O3 MolecularWeight: 368.22572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1(C(C2=C(O1)C=CC(=C2)Br)O)N3C=NC=N3)O

Isomeric SMILES

CC(C)(C)C(C1(C(C2=C(O1)C=CC(=C2)Br)O)N3C=NC=N3)O

InChI

InChI=1S/C15H18BrN3O3/c1-14(2,3)13(21)15(19-8-17-7-18-19)12(20)10-6-9(16)4-5-11(10)22-15/h4-8,12-13,20-21H,1-3H3