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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

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