1-[3,5-bis(bromanyl)-1,2,4-triazol-1-yl]-4-phenyl-butan-2-one

Systemtic Name: 1-[3,5-bis(bromanyl)-1,2,4-triazol-1-yl]-4-phenyl-butan-2-one Openeye Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one CAS Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)-4-phenyl-2-butanone IUPAC Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)-4-phenylbutan-2-one Traditional Name: 1-(3,5-dibromo-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one Formula: C12H11Br2N3O MolecularWeight: 373.04324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)CN2C(=NC(=N2)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)CN2C(=NC(=N2)Br)Br

InChI

InChI=1S/C12H11Br2N3O/c13-11-15-12(14)17(16-11)8-10(18)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2