5-ethyl-1-(4-iodophenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-ethyl-1-(4-iodophenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-ethyl-1-(4-iodophenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-ethyl-1-(4-iodophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-ethyl-1-(4-iodophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-ethyl-1-(4-iodophenyl)-1,2,4-triazole-3-carboxylic acid Formula: C11H10IN3O2 MolecularWeight: 343.12047

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=C(C=C2)I)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1C2=CC=C(C=C2)I)C(=O)O

InChI

InChI=1S/C11H10IN3O2/c1-2-9-13-10(11(16)17)14-15(9)8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H,16,17)