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

Systemtic Name: 4-[2-chloranyl-3-(ethylsulfanylmethyl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(ethylsulfanylmethyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-[(ethylthio)methyl]-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(ethylsulfanylmethyl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-[(ethylthio)methyl]-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C16H19ClN2O4S2 MolecularWeight: 402.91606

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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)CSCC)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)CSCC)Cl

InChI

InChI=1S/C16H19ClN2O4S2/c1-4-19-16(21)11(8-18-19)15(20)10-6-7-13(25(3,22)23)12(14(10)17)9-24-5-2/h6-8,18H,4-5,9H2,1-3H3