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

Systemtic Name: 1-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2,6-dichloro-3-methyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2,6-dichloro-3-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2,6-dichloro-3-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2,6-dichloro-3-methyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C13H13Cl2N3O2 MolecularWeight: 314.16722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2N3O2/c1-3-4-9-16-12(13(19)20)17-18(9)11-8(14)6-5-7(2)10(11)15/h5-6H,3-4H2,1-2H3,(H,19,20)