1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2,5-dimethoxyphenyl)-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2,5-dimethoxyphenyl)-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazole-3-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazole-3-carboxamide Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-N-(2,5-dimethoxyphenyl)-5-phenyl-pyrazole-3-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C(=C2)C3=CC=CC=C3)C4CCS(=O)(=O)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C(=C2)C3=CC=CC=C3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C22H23N3O5S/c1-29-17-8-9-21(30-2)18(12-17)23-22(26)19-13-20(15-6-4-3-5-7-15)25(24-19)16-10-11-31(27,28)14-16/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,23,26)/t16-/m0/s1