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

Systemtic Name: 3-[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[5-phenyl-4-(p-tolylsulfonyl)triazol-1-yl]benzoic acid CAS Name: 3-[4-(4-methylphenyl)sulfonyl-5-phenyl-1-triazolyl]benzoic acid IUPAC Name: 3-[4-(4-methylphenyl)sulfonyl-5-phenyltriazol-1-yl]benzoic acid Traditional Name: 3-(5-phenyl-4-tosyl-triazol-1-yl)benzoic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H17N3O4S/c1-15-10-12-19(13-11-15)30(28,29)21-20(16-6-3-2-4-7-16)25(24-23-21)18-9-5-8-17(14-18)22(26)27/h2-14H,1H3,(H,26,27)