2-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzoic acid Formula: C22H14F3N3O3S MolecularWeight: 457.42507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H14F3N3O3S/c23-22(24,25)19-12-17(18-6-3-11-32-18)28(27-19)14-9-7-13(8-10-14)26-20(29)15-4-1-2-5-16(15)21(30)31/h1-12H,(H,26,29)(H,30,31)