2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfinyl]ethanoic acid

Systemtic Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfinyl]ethanoic acid Openeye Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfinyl]acetic acid CAS Name: 2-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylsulfinyl]acetic acid IUPAC Name: 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylsulfinyl]acetic acid Traditional Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfinyl]acetic acid Formula: C18H15FN2O3S MolecularWeight: 358.386703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CS(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CS(=O)CC(=O)O

InChI

InChI=1S/C18H15FN2O3S/c19-15-8-6-13(7-9-15)18-14(11-25(24)12-17(22)23)10-21(20-18)16-4-2-1-3-5-16/h1-10H,11-12H2,(H,22,23)