5-cyclopropyl-1-(3-iodanylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-cyclopropyl-1-(3-iodanylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-1-(3-iodophenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-cyclopropyl-1-(3-iodophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-cyclopropyl-1-(3-iodophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-1-(3-iodophenyl)-1,2,4-triazole-3-carboxylic acid Formula: C12H10IN3O2 MolecularWeight: 355.13117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC(=CC=C3)I)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC(=CC=C3)I)C(=O)O

InChI

InChI=1S/C12H10IN3O2/c13-8-2-1-3-9(6-8)16-11(7-4-5-7)14-10(15-16)12(17)18/h1-3,6-7H,4-5H2,(H,17,18)