1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-bromo-2,6-dichloro-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-bromo-2,6-dichlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-bromo-2,6-dichlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-bromo-2,6-dichloro-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Formula: C12H8BrCl2N3O2 MolecularWeight: 377.02082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=C(C=C(C=C3Cl)Br)Cl)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=C(C=C(C=C3Cl)Br)Cl)C(=O)O

InChI

InChI=1S/C12H8BrCl2N3O2/c13-6-3-7(14)9(8(15)4-6)18-11(5-1-2-5)16-10(17-18)12(19)20/h3-5H,1-2H2,(H,19,20)