2-(4-bromophenyl)-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol

Systemtic Name: 2-(4-bromophenyl)-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol Openeye Name: 2-(4-bromophenyl)-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol CAS Name: 2-(4-bromophenyl)-1-(1,2,4-triazol-1-yl)-4-pentyn-2-ol IUPAC Name: 2-(4-bromophenyl)-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol Traditional Name: 2-(4-bromophenyl)-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol Formula: C13H12BrN3O MolecularWeight: 306.15788

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CN1C=NC=N1)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

C#CCC(CN1C=NC=N1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H12BrN3O/c1-2-7-13(18,8-17-10-15-9-16-17)11-3-5-12(14)6-4-11/h1,3-6,9-10,18H,7-8H2