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

Systemtic Name: 4-ethyl-2-(3-iodanylprop-2-ynyl)-5-phenyl-1,2,4-triazol-3-one Openeye Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-phenyl-1,2,4-triazol-3-one CAS Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-phenyl-1,2,4-triazol-3-one IUPAC Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-phenyl-1,2,4-triazol-3-one Traditional Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-phenyl-1,2,4-triazol-3-one Formula: C13H12IN3O MolecularWeight: 353.15835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12IN3O/c1-2-16-12(11-7-4-3-5-8-11)15-17(13(16)18)10-6-9-14/h3-5,7-8H,2,10H2,1H3