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

Systemtic Name: 5-ethyl-1-(3-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-ethyl-1-(3-isopropylphenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-ethyl-1-(3-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-ethyl-1-(3-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-ethyl-1-m-cumenyl-1,2,4-triazole-3-carboxylic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-4-12-15-13(14(18)19)16-17(12)11-7-5-6-10(8-11)9(2)3/h5-9H,4H2,1-3H3,(H,18,19)