3-[4-(4-ethoxyphenyl)sulfonyl-5-phenyl-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 3-[4-(4-ethoxyphenyl)sulfonyl-5-phenyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[4-(4-ethoxyphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoic acid CAS Name: 3-[4-(4-ethoxyphenyl)sulfonyl-5-phenyl-1-triazolyl]benzoic acid IUPAC Name: 3-[4-(4-ethoxyphenyl)sulfonyl-5-phenyltriazol-1-yl]benzoic acid Traditional Name: 3-(5-phenyl-4-p-phenetylsulfonyl-triazol-1-yl)benzoic acid Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-2-31-19-11-13-20(14-12-19)32(29,30)22-21(16-7-4-3-5-8-16)26(25-24-22)18-10-6-9-17(15-18)23(27)28/h3-15H,2H2,1H3,(H,27,28)