2-(3,5-diphenyl-1,2,4-triazol-1-yl)ethanoic acid

Systemtic Name: 2-(3,5-diphenyl-1,2,4-triazol-1-yl)ethanoic acid Openeye Name: 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetic acid CAS Name: 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetic acid IUPAC Name: 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetic acid Traditional Name: 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC(=O)O

InChI

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