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

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2,6-dichlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2,6-dichlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2,6-dichlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2,6-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=C2Cl)Cl)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=C(C=CC=C2Cl)Cl)C(=O)O

InChI

InChI=1S/C12H11Cl2N3O2/c1-2-4-9-15-11(12(18)19)16-17(9)10-7(13)5-3-6-8(10)14/h3,5-6H,2,4H2,1H3,(H,18,19)