1-[(2S,3R)-5-bromanyl-3-oxidanyl-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-2-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[(2S,3R)-5-bromanyl-3-oxidanyl-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-2-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[(2S,3R)-5-bromo-3-hydroxy-2-(1,2,4-triazol-1-yl)-3H-benzofuran-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[(2S,3R)-5-bromo-3-hydroxy-2-(1,2,4-triazol-1-yl)-3H-benzofuran-2-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[(2S,3R)-5-bromo-3-hydroxy-2-(1,2,4-triazol-1-yl)-3H-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[(2S,3R)-5-bromo-3-hydroxy-2-(1,2,4-triazol-1-yl)coumaran-2-yl]-2,2-dimethyl-propan-1-one Formula: C15H16BrN3O3 MolecularWeight: 366.20984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)[C@@]1([C@@H](C2=C(O1)C=CC(=C2)Br)O)N3C=NC=N3

InChI

InChI=1S/C15H16BrN3O3/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/h4-8,12,20H,1-3H3/t12-,15+/m1/s1