N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-3-thiolanyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)OC

InChI

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