4-[2-chloranyl-3-(2-methylsulfanylmorpholin-4-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-(2-methylsulfanylmorpholin-4-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(2-methylsulfanylmorpholin-4-yl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-[2-(methylthio)-4-morpholinyl]phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(2-methylsulfanylmorpholin-4-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-[2-(methylthio)morpholino]benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C18H22ClN3O5S2 MolecularWeight: 459.96738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCOC(C3)SC)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCOC(C3)SC)Cl

InChI

InChI=1S/C18H22ClN3O5S2/c1-4-22-18(24)12(9-20-22)17(23)11-5-6-13(29(3,25)26)16(15(11)19)21-7-8-27-14(10-21)28-2/h5-6,9,14,20H,4,7-8,10H2,1-3H3