4-[3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-[3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-benzoyl]-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[[3-(2-methoxyethylamino)-4-methylsulfonyl-2-[(methylthio)methyl]phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-3-(2-methoxyethylamino)-2-[(methylthio)methyl]benzoyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)NCCOC)CSC

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)NCCOC)CSC

InChI

InChI=1S/C18H25N3O5S2/c1-11-15(18(23)21(2)20-11)17(22)12-6-7-14(28(5,24)25)16(13(12)10-27-4)19-8-9-26-3/h6-7,19-20H,8-10H2,1-5H3