1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-fluoranyl-3-methyl-phenyl)pyrazole-3-carboxylate

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-fluoranyl-3-methyl-phenyl)pyrazole-3-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methyl-phenyl)pyrazole-3-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-fluoro-3-methylphenyl)-3-pyrazolecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(4-fluoro-3-methyl-phenyl)pyrazole-3-carboxylate Formula: C15H14FN2O4S- MolecularWeight: 337.346063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C(=O)[O-])F

InChI

InChI=1S/C15H15FN2O4S/c1-9-6-10(2-3-12(9)16)14-7-13(15(19)20)17-18(14)11-4-5-23(21,22)8-11/h2-3,6-7,11H,4-5,8H2,1H3,(H,19,20)/p-1/t11-/m0/s1