3-[4-(3-bromophenyl)sulfonyl-5-(4-fluorophenyl)-1,2,3-triazol-1-yl]benzoate

Systemtic Name: 3-[4-(3-bromophenyl)sulfonyl-5-(4-fluorophenyl)-1,2,3-triazol-1-yl]benzoate Openeye Name: 3-[4-(3-bromophenyl)sulfonyl-5-(4-fluorophenyl)triazol-1-yl]benzoate CAS Name: 3-[4-(3-bromophenyl)sulfonyl-5-(4-fluorophenyl)-1-triazolyl]benzoate IUPAC Name: 3-[4-(3-bromophenyl)sulfonyl-5-(4-fluorophenyl)triazol-1-yl]benzoate Traditional Name: 3-[4-(3-bromophenyl)sulfonyl-5-(4-fluorophenyl)triazol-1-yl]benzoate Formula: C21H12BrFN3O4S- MolecularWeight: 501.305083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(N=N2)S(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(N=N2)S(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)F)C(=O)[O-]

InChI

InChI=1S/C21H13BrFN3O4S/c22-15-4-2-6-18(12-15)31(29,30)20-19(13-7-9-16(23)10-8-13)26(25-24-20)17-5-1-3-14(11-17)21(27)28/h1-12H,(H,27,28)/p-1