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

Systemtic Name: 4-ethyl-2-(3-iodanylprop-2-ynyl)-5-(2-methylphenyl)-1,2,4-triazol-3-one Openeye Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(o-tolyl)-1,2,4-triazol-3-one CAS Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(2-methylphenyl)-1,2,4-triazol-3-one IUPAC Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(2-methylphenyl)-1,2,4-triazol-3-one Traditional Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(o-tolyl)-1,2,4-triazol-3-one Formula: C14H14IN3O MolecularWeight: 367.18493

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)CC#CI)C2=CC=CC=C2C

Isomeric SMILES

CCN1C(=NN(C1=O)CC#CI)C2=CC=CC=C2C

InChI

InChI=1S/C14H14IN3O/c1-3-17-13(12-8-5-4-7-11(12)2)16-18(14(17)19)10-6-9-15/h4-5,7-8H,3,10H2,1-2H3