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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br

InChI

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