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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(p-tolyl)pyrazole-3-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-methylphenyl)-3-pyrazolecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(p-tolyl)pyrazole-3-carboxylate Formula: C15H15N2O4S- MolecularWeight: 319.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-10-2-4-11(5-3-10)14-8-13(15(18)19)16-17(14)12-6-7-22(20,21)9-12/h2-5,8,12H,6-7,9H2,1H3,(H,18,19)/p-1/t12-/m0/s1