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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(prop-2-ynoxymethyl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(prop-2-ynoxymethyl)benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(prop-2-ynoxymethyl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(prop-2-ynoxymethyl)benzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(propargyloxymethyl)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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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)COCC#C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COCC#C)Cl

InChI

InChI=1S/C17H17ClN2O5S/c1-4-8-25-10-13-14(26(3,23)24)7-6-11(15(13)18)16(21)12-9-19-20(5-2)17(12)22/h1,6-7,9,19H,5,8,10H2,2-3H3