1-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O2S/c1-14-5-6-15(2)17(11-14)18(23)13-25-19-8-7-16(12-21-19)20(24)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3