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

Systemtic Name: 5-ethyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-benzyl-5-ethyl-triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(phenylmethyl)-4-triazolecarboxylic acid IUPAC Name: 1-benzyl-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-benzyl-5-ethyl-triazole-4-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H13N3O2/c1-2-10-11(12(16)17)13-14-15(10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,16,17)