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

Systemtic Name: 4-[4-(2-bromophenyl)sulfonyl-5-methyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(2-bromophenyl)sulfonyl-5-methyl-triazol-1-yl]benzoic acid CAS Name: 4-[4-(2-bromophenyl)sulfonyl-5-methyl-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(2-bromophenyl)sulfonyl-5-methyltriazol-1-yl]benzoic acid Traditional Name: 4-[4-(2-bromophenyl)sulfonyl-5-methyl-triazol-1-yl]benzoic acid Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H12BrN3O4S/c1-10-15(25(23,24)14-5-3-2-4-13(14)17)18-19-20(10)12-8-6-11(7-9-12)16(21)22/h2-9H,1H3,(H,21,22)