5-(4-chlorophenyl)-2-(3-iodanylprop-2-ynyl)-4-methyl-1,2,4-triazol-3-one

Systemtic Name: 5-(4-chlorophenyl)-2-(3-iodanylprop-2-ynyl)-4-methyl-1,2,4-triazol-3-one Openeye Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-methyl-1,2,4-triazol-3-one CAS Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-methyl-1,2,4-triazol-3-one IUPAC Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-methyl-1,2,4-triazol-3-one Traditional Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-methyl-1,2,4-triazol-3-one Formula: C12H9ClIN3O MolecularWeight: 373.57683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC#CI)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN(C1=O)CC#CI)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClIN3O/c1-16-11(9-3-5-10(13)6-4-9)15-17(12(16)18)8-2-7-14/h3-6H,8H2,1H3