2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 1-[2-(2,6-dimethoxynicotinoyl)pyrazolidin-1-yl]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=C(N=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=C(N=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H25N3O6S/c1-27-16-8-6-14(12-17(16)28-2)31-13-19(25)23-10-5-11-24(23)21(26)15-7-9-18(29-3)22-20(15)30-4/h6-9,12H,5,10-11,13H2,1-4H3