2-phenyl-5-(1H-1,2,4-triazol-5-ylmethyl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC=NN3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC=NN3)C(=O)O

InChI

InChI=1S/C16H13N3O2/c20-16(21)14-8-11(9-15-17-10-18-19-15)6-7-13(14)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,20,21)(H,17,18,19)