1-(4-methylsulfanylphenyl)-4-(2-pyridin-2-ylpyrrolidin-1-yl)butane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-(2-pyridin-2-ylpyrrolidin-1-yl)butane-1,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)-4-[2-(2-pyridyl)pyrrolidin-1-yl]butane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]-4-[2-(2-pyridinyl)-1-pyrrolidinyl]butane-1,4-dione IUPAC Name: 1-(4-methylsulfanylphenyl)-4-(2-pyridin-2-ylpyrrolidin-1-yl)butane-1,4-dione Traditional Name: 1-[4-(methylthio)phenyl]-4-[2-(2-pyridyl)pyrrolidino]butane-1,4-dione Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=CC=CC=N3

InChI

InChI=1S/C20H22N2O2S/c1-25-16-9-7-15(8-10-16)19(23)11-12-20(24)22-14-4-6-18(22)17-5-2-3-13-21-17/h2-3,5,7-10,13,18H,4,6,11-12,14H2,1H3