2-[4-(2-bromanylethynyl)phenyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 2-[4-(2-bromanylethynyl)phenyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 2-[4-(2-bromoethynyl)phenyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 2-[4-(2-bromoethynyl)phenyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 2-[4-(2-bromoethynyl)phenyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 2-[4-(2-bromoethynyl)phenyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C16H18BrN3O MolecularWeight: 348.23762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)C#CBr)O

Isomeric SMILES

CC(C)(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)C#CBr)O

InChI

InChI=1S/C16H18BrN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)14-6-4-13(5-7-14)8-9-17/h4-7,11-12,21H,10H2,1-3H3