1-(3,5-dimethylphenyl)-5-ethyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(3,5-dimethylphenyl)-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3,5-dimethylphenyl)-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-(3,5-dimethylphenyl)-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-(3,5-dimethylphenyl)-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-(3,5-dimethylphenyl)-5-ethyl-triazole-4-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC(=CC(=C2)C)C)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC(=CC(=C2)C)C)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-4-11-12(13(17)18)14-15-16(11)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,17,18)