(4-methylphenyl) 1-(4-iodophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (4-methylphenyl) 1-(4-iodophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: p-tolyl 1-(4-iodophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(4-iodophenyl)-5-methyl-4-triazolecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 1-(4-iodophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(4-iodophenyl)-5-methyl-triazole-4-carboxylic acid p-tolyl ester Formula: C17H14IN3O2 MolecularWeight: 419.21643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)I)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)I)C

InChI

InChI=1S/C17H14IN3O2/c1-11-3-9-15(10-4-11)23-17(22)16-12(2)21(20-19-16)14-7-5-13(18)6-8-14/h3-10H,1-2H3