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

Systemtic Name: 1-(4-iodophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-iodophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-iodophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-iodophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-iodophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Formula: C10H8IN3O2 MolecularWeight: 329.09389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)I)C(=O)O

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)I)C(=O)O

InChI

InChI=1S/C10H8IN3O2/c1-6-12-9(10(15)16)13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)