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

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O2/c1-4-5-11-16-13(14(19)20)17-18(11)12-9(3)6-8(2)7-10(12)15/h6-7H,4-5H2,1-3H3,(H,19,20)