1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O2S/c1-12-9-15(13(2)20-12)16(22)11-24-17-6-5-14(10-19-17)18(23)21-7-3-4-8-21/h5-6,9-10,20H,3-4,7-8,11H2,1-2H3