4-(4-bromophenyl)-2-[(2S,3R)-3-oxidanylbutan-2-yl]-1,2,4-triazol-3-one

Systemtic Name: 4-(4-bromophenyl)-2-[(2S,3R)-3-oxidanylbutan-2-yl]-1,2,4-triazol-3-one Openeye Name: 4-(4-bromophenyl)-2-[(1S,2R)-2-hydroxy-1-methyl-propyl]-1,2,4-triazol-3-one CAS Name: 4-(4-bromophenyl)-2-[(2S,3R)-3-hydroxybutan-2-yl]-1,2,4-triazol-3-one IUPAC Name: 4-(4-bromophenyl)-2-[(2S,3R)-3-hydroxybutan-2-yl]-1,2,4-triazol-3-one Traditional Name: 4-(4-bromophenyl)-2-[(1S,2R)-2-hydroxy-1-methyl-propyl]-1,2,4-triazol-3-one Formula: C12H14BrN3O2 MolecularWeight: 312.16246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H]([C@@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrN3O2/c1-8(9(2)17)16-12(18)15(7-14-16)11-5-3-10(13)4-6-11/h3-9,17H,1-2H3/t8-,9+/m0/s1