4-[3-[(3E)-3-ethoxyiminobutyl]-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-[(3E)-3-ethoxyiminobutyl]-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-[(3E)-3-ethoxyiminobutyl]-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-[(3E)-3-ethoxyiminobutyl]-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-[(3E)-3-ethoxyiminobutyl]-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[3-[(3E)-3-ethyloximinobutyl]-4-mesyl-2-methyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C)CCC1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

Isomeric SMILES

CCO/N=C(\C)/CCC1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O5S/c1-6-27-21-12(2)7-8-14-13(3)15(9-10-17(14)28(5,25)26)18(23)16-11-20-22(4)19(16)24/h9-11,20H,6-8H2,1-5H3/b21-12+