4-[2-(phenylcarbonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]benzoic acid

Systemtic Name: 4-[2-(phenylcarbonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]benzoic acid Openeye Name: 4-[2-benzoyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]benzoic acid CAS Name: 4-(2-benzoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)benzoic acid IUPAC Name: 4-(2-benzoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)benzoic acid Traditional Name: 4-[2-benzoyl-5-(2-thienyl)-2-pyrazolin-3-yl]benzoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c24-20(15-5-2-1-3-6-15)23-18(13-17(22-23)19-7-4-12-27-19)14-8-10-16(11-9-14)21(25)26/h1-12,18H,13H2,(H,25,26)