4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[[(3S)-1,1-dioxo-3-thiolanyl]iminomethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[[(3S)-1,1-diketothiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NC2CCS(=O)(=O)C2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C=N[C@H]2CCS(=O)(=O)C2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H17N3O3S/c1-11-14(9-16-12-7-8-22(20,21)10-12)15(19)18(17-11)13-5-3-2-4-6-13/h2-6,9,12,19H,7-8,10H2,1H3/p-1/t12-/m0/s1