2-[(1,3-diphenylpyrazol-4-yl)methylsulfinyl]ethanoic acid

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfinyl]ethanoic acid Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfinyl]acetic acid CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylsulfinyl]acetic acid IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfinyl]acetic acid Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfinyl]acetic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CS(=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CS(=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S/c21-17(22)13-24(23)12-15-11-20(16-9-5-2-6-10-16)19-18(15)14-7-3-1-4-8-14/h1-11H,12-13H2,(H,21,22)