5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenyl-benzoic acid

Systemtic Name: 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenyl-benzoic acid Openeye Name: 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenyl-benzoic acid CAS Name: 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenylbenzoic acid IUPAC Name: 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenylbenzoic acid Traditional Name: 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenyl-benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2/c1-10-17-15(19-18-10)12-7-8-13(14(9-12)16(20)21)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)(H,17,18,19)