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

Systemtic Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-(4-methylphenyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoic acid CAS Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-(4-methylphenyl)-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-(4-methylphenyl)triazol-1-yl]benzoic acid Traditional Name: 4-[4-p-phenetylsulfonyl-5-(p-tolyl)triazol-1-yl]benzoic acid Formula: C24H21N3O5S MolecularWeight: 463.50564

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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=C(C=C3)C(=O)O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S/c1-3-32-20-12-14-21(15-13-20)33(30,31)23-22(17-6-4-16(2)5-7-17)27(26-25-23)19-10-8-18(9-11-19)24(28)29/h4-15H,3H2,1-2H3,(H,28,29)