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

Systemtic Name: 3-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)sulfonyl-triazol-1-yl]benzoic acid CAS Name: 3-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)sulfonyl-1-triazolyl]benzoic acid IUPAC Name: 3-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)sulfonyltriazol-1-yl]benzoic acid Traditional Name: 3-[5-(4-bromophenyl)-4-p-phenetylsulfonyl-triazol-1-yl]benzoic acid Formula: C23H18BrN3O5S MolecularWeight: 528.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C23H18BrN3O5S/c1-2-32-19-10-12-20(13-11-19)33(30,31)22-21(15-6-8-17(24)9-7-15)27(26-25-22)18-5-3-4-16(14-18)23(28)29/h3-14H,2H2,1H3,(H,28,29)