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

Systemtic Name: 2-[(S)-(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfinyl]ethanoic acid Openeye Name: 2-[(S)-(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfinyl]acetic acid CAS Name: 2-[(S)-(1-methyl-3-phenyl-4-pyrazolyl)methylsulfinyl]acetic acid IUPAC Name: 2-[(S)-(1-methyl-3-phenylpyrazol-4-yl)methylsulfinyl]acetic acid Traditional Name: 2-[(S)-(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfinyl]acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)CS(=O)CC(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[S@](=O)CC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-15-7-11(8-19(18)9-12(16)17)13(14-15)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,17)/t19-/m0/s1