2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]ethanamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-5,5-diketo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C21H20FN3O5S/c1-29-18-8-3-13(9-19(18)30-2)10-20(26)23-21-16-11-31(27,28)12-17(16)24-25(21)15-6-4-14(22)5-7-15/h3-9H,10-12H2,1-2H3,(H,23,26)