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

Systemtic Name: 3-[5-(4-bromophenyl)-4-(phenylsulfonyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[4-(benzenesulfonyl)-5-(4-bromophenyl)triazol-1-yl]benzoic acid CAS Name: 3-[4-(benzenesulfonyl)-5-(4-bromophenyl)-1-triazolyl]benzoic acid IUPAC Name: 3-[4-(benzenesulfonyl)-5-(4-bromophenyl)triazol-1-yl]benzoic acid Traditional Name: 3-[4-besyl-5-(4-bromophenyl)triazol-1-yl]benzoic acid Formula: C21H14BrN3O4S MolecularWeight: 484.32256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O4S/c22-16-11-9-14(10-12-16)19-20(30(28,29)18-7-2-1-3-8-18)23-24-25(19)17-6-4-5-15(13-17)21(26)27/h1-13H,(H,26,27)