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

Systemtic Name: 1-(3-iodanylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(3-iodophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(3-iodophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(3-iodophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(3-iodophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid Formula: C15H10IN3O2 MolecularWeight: 391.16327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC(=CC=C3)I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC(=CC=C3)I)C(=O)O

InChI

InChI=1S/C15H10IN3O2/c16-11-7-4-8-12(9-11)19-14(10-5-2-1-3-6-10)17-13(18-19)15(20)21/h1-9H,(H,20,21)