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

Systemtic Name: 4-[5-(4-methylphenyl)-4-(phenylsulfonyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(benzenesulfonyl)-5-(p-tolyl)triazol-1-yl]benzoic acid CAS Name: 4-[4-(benzenesulfonyl)-5-(4-methylphenyl)-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(benzenesulfonyl)-5-(4-methylphenyl)triazol-1-yl]benzoic acid Traditional Name: 4-[4-besyl-5-(p-tolyl)triazol-1-yl]benzoic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4S/c1-15-7-9-16(10-8-15)20-21(30(28,29)19-5-3-2-4-6-19)23-24-25(20)18-13-11-17(12-14-18)22(26)27/h2-14H,1H3,(H,26,27)