1-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1-pyrazolidinyl]-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-[2-(benzofurazan-5-carbonyl)pyrazolidin-1-yl]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=CC4=NON=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=CC4=NON=C4C=C3)OC

InChI

InChI=1S/C20H20N4O5S/c1-27-17-7-5-14(11-18(17)28-2)30-12-19(25)23-8-3-9-24(23)20(26)13-4-6-15-16(10-13)22-29-21-15/h4-7,10-11H,3,8-9,12H2,1-2H3