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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(trifluoromethyl)-4-pyrazolecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate Formula: C9H8F3N2O4S- MolecularWeight: 297.23103

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=C(C=N2)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=C(C=N2)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H9F3N2O4S/c10-9(11,12)7-6(8(15)16)3-13-14(7)5-1-2-19(17,18)4-5/h3,5H,1-2,4H2,(H,15,16)/p-1/t5-/m0/s1