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

Systemtic Name: 4-[4-(3-bromophenyl)sulfonyl-5-(4-methylphenyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(3-bromophenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoic acid CAS Name: 4-[4-(3-bromophenyl)sulfonyl-5-(4-methylphenyl)-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(3-bromophenyl)sulfonyl-5-(4-methylphenyl)triazol-1-yl]benzoic acid Traditional Name: 4-[4-(3-bromophenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoic acid Formula: C22H16BrN3O4S MolecularWeight: 498.34914

Click to see the large picture

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)Br

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)Br

InChI

InChI=1S/C22H16BrN3O4S/c1-14-5-7-15(8-6-14)20-21(31(29,30)19-4-2-3-17(23)13-19)24-25-26(20)18-11-9-16(10-12-18)22(27)28/h2-13H,1H3,(H,27,28)