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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2,5-dichlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2,5-dichlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2,5-dichlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2,5-dichlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C12H11Cl2N3O2 MolecularWeight: 300.14064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H11Cl2N3O2/c1-2-3-10-15-11(12(18)19)16-17(10)9-6-7(13)4-5-8(9)14/h4-6H,2-3H2,1H3,(H,18,19)