5-[2-chloranyl-3-[(E)-2-methoxyethenyl]-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 5-[2-chloranyl-3-[(E)-2-methoxyethenyl]-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 5-[2-chloro-3-[(E)-2-methoxyvinyl]-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 5-[[2-chloro-3-[(E)-2-methoxyethenyl]-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 5-[2-chloro-3-[(E)-2-methoxyethenyl]-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 5-[2-chloro-4-mesyl-3-[(E)-2-methoxyvinyl]benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C16H17ClN2O5S MolecularWeight: 384.83458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C=C(N1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C=COC)Cl

Isomeric SMILES

CCN1C(=O)C=C(N1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)/C=C/OC)Cl

InChI

InChI=1S/C16H17ClN2O5S/c1-4-19-14(20)9-12(18-19)16(21)11-5-6-13(25(3,22)23)10(15(11)17)7-8-24-2/h5-9,18H,4H2,1-3H3/b8-7+