5-(3-bromophenyl)-4-ethyl-2-(3-iodanylprop-2-ynyl)-1,2,4-triazol-3-one

Systemtic Name: 5-(3-bromophenyl)-4-ethyl-2-(3-iodanylprop-2-ynyl)-1,2,4-triazol-3-one Openeye Name: 5-(3-bromophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one CAS Name: 5-(3-bromophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one IUPAC Name: 5-(3-bromophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one Traditional Name: 5-(3-bromophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one Formula: C13H11BrIN3O MolecularWeight: 432.05441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)CC#CI)C2=CC(=CC=C2)Br

Isomeric SMILES

CCN1C(=NN(C1=O)CC#CI)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H11BrIN3O/c1-2-17-12(10-5-3-6-11(14)9-10)16-18(13(17)19)8-4-7-15/h3,5-6,9H,2,8H2,1H3