1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-isopropyl-1-phenyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-isopropyl-1-phenyl-1,2,4-triazole-3-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)C(=O)O

InChI

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