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

Systemtic Name: 1-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinyl]-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H21BrN2O4S/c1-26-17-9-8-16(12-18(17)27-2)28-13-19(24)22-10-3-11-23(22)20(25)14-4-6-15(21)7-5-14/h4-9,12H,3,10-11,13H2,1-2H3