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

Systemtic Name: 3-[5-phenyl-4-(phenylsulfonyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[4-(benzenesulfonyl)-5-phenyl-triazol-1-yl]benzoic acid CAS Name: 3-[4-(benzenesulfonyl)-5-phenyl-1-triazolyl]benzoic acid IUPAC Name: 3-[4-(benzenesulfonyl)-5-phenyltriazol-1-yl]benzoic acid Traditional Name: 3-(4-besyl-5-phenyl-triazol-1-yl)benzoic acid Formula: C21H15N3O4S MolecularWeight: 405.4265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC(=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC(=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O4S/c25-21(26)16-10-7-11-17(14-16)24-19(15-8-3-1-4-9-15)20(22-23-24)29(27,28)18-12-5-2-6-13-18/h1-14H,(H,25,26)