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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)Cl)CC#CI

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)Cl)CC#CI

InChI

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