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

Systemtic Name: 3-[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 3-[5-(4-fluorophenyl)-4-(4-isopropylphenyl)sulfonyl-triazol-1-yl]benzoate CAS Name: 3-[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-triazolyl]benzoate IUPAC Name: 3-[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)sulfonyltriazol-1-yl]benzoate Traditional Name: 3-[5-(4-fluorophenyl)-4-p-cumenylsulfonyl-triazol-1-yl]benzoate Formula: C24H19FN3O4S- MolecularWeight: 464.488763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O4S/c1-15(2)16-8-12-21(13-9-16)33(31,32)23-22(17-6-10-19(25)11-7-17)28(27-26-23)20-5-3-4-18(14-20)24(29)30/h3-15H,1-2H3,(H,29,30)/p-1