(4R)-4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4R)-4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4R)-4-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: (4R)-4-[[(3R)-1,1-dioxo-3-thiolanyl]iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: (4R)-4-[[(3R)-1,1-diketothiolan-3-yl]iminomethyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1C=N[C@@H]2CCS(=O)(=O)C2)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/h2-6,9,12,14H,7-8,10H2,1H3/t12-,14-/m1/s1