4-[3-(3-chloranylthiophen-2-yl)-5-(4-chlorophenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(3-chloranylthiophen-2-yl)-5-(4-chlorophenyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-(4-chlorophenyl)-3-(3-chloro-2-thienyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[5-(4-chlorophenyl)-3-(3-chloro-2-thiophenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[5-(4-chlorophenyl)-3-(3-chloro-2-thienyl)pyrazol-1-yl]benzoic acid Formula: C20H12Cl2N2O2S MolecularWeight: 415.29248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C4=C(C=CS4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C4=C(C=CS4)Cl)Cl

InChI

InChI=1S/C20H12Cl2N2O2S/c21-14-5-1-12(2-6-14)18-11-17(19-16(22)9-10-27-19)23-24(18)15-7-3-13(4-8-15)20(25)26/h1-11H,(H,25,26)