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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

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