[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H14BrN3O3 MolecularWeight: 400.22606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H14BrN3O3/c1-12(17(23)13-2-6-15(19)7-3-13)25-18(24)14-4-8-16(9-5-14)22-11-20-10-21-22/h2-12H,1H3/t12-/m1/s1