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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(1-allyl-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(N1CC=C)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-4-9-23-15(2)12-18(16(23)3)19(24)14-27-20-8-7-17(13-21-20)28(25,26)22-10-5-6-11-22/h4,7-8,12-13H,1,5-6,9-11,14H2,2-3H3