1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H25N3O3S2/c1-14-11-18(15(2)23(14)16-5-6-16)19(24)13-27-20-8-7-17(12-21-20)28(25,26)22-9-3-4-10-22/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3