2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3)C)C

InChI

InChI=1S/C21H24N2O2S/c1-14-10-16(3)18(11-15(14)2)19(24)13-26-20-7-6-17(12-22-20)21(25)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9,13H2,1-3H3