1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O4S2/c1-14-10-18(16(3)25(14)20-11-15(2)29-23-20)19(26)13-30-21-7-6-17(12-22-21)31(27,28)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9,13H2,1-3H3