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

Systemtic Name: 2-[(S)-(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfinyl]ethanoate Openeye Name: 2-[(S)-(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfinyl]acetate CAS Name: 2-[(S)-(1-methyl-3-phenyl-4-pyrazolyl)methylsulfinyl]acetate IUPAC Name: 2-[(S)-(1-methyl-3-phenylpyrazol-4-yl)methylsulfinyl]acetate Traditional Name: 2-[(S)-(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfinyl]acetate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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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)/p-1/t19-/m0/s1