1-(4-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-isopropylphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 1-(4-propan-2-ylphenyl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-p-cumenyl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-15(2)16-5-7-17(8-6-16)19(24)14-26-20-10-9-18(13-22-20)21(25)23-11-3-4-12-23/h5-10,13,15H,3-4,11-12,14H2,1-2H3