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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[2-(2,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CSC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CSC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H22BrNO3S/c1-24-15-7-10-17(19(12-15)25-2)18-4-3-11-22(18)20(23)13-26-16-8-5-14(21)6-9-16/h5-10,12,18H,3-4,11,13H2,1-2H3