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

Systemtic Name: 5-(4-chlorophenyl)-2-(3-iodanylprop-2-ynyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one Openeye Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one IUPAC Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one Traditional Name: 5-(4-chlorophenyl)-2-(3-iodoprop-2-ynyl)-4-(p-tolyl)-1,2,4-triazol-3-one Formula: C18H13ClIN3O MolecularWeight: 449.67279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=O)CC#CI)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=O)CC#CI)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClIN3O/c1-13-3-9-16(10-4-13)23-17(14-5-7-15(19)8-6-14)21-22(18(23)24)12-2-11-20/h3-10H,12H2,1H3