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

Systemtic Name: 5-(3-ethoxyphenyl)-4-ethyl-2-(3-iodanylprop-2-ynyl)-1,2,4-triazol-3-one Openeye Name: 5-(3-ethoxyphenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one CAS Name: 5-(3-ethoxyphenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one IUPAC Name: 5-(3-ethoxyphenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one Traditional Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-m-phenetyl-1,2,4-triazol-3-one Formula: C15H16IN3O2 MolecularWeight: 397.21091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16IN3O2/c1-3-18-14(17-19(15(18)20)10-6-9-16)12-7-5-8-13(11-12)21-4-2/h5,7-8,11H,3-4,10H2,1-2H3