4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-methylsulfonyl-5-propyl-4H-pyrazol-3-one

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-methylsulfonyl-5-propyl-4H-pyrazol-3-one Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-2-methylsulfonyl-5-propyl-4H-pyrazol-3-one CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-2-methylsulfonyl-5-propyl-4H-pyrazol-3-one IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-2-methylsulfonyl-5-propyl-4H-pyrazol-3-one Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-2-mesyl-5-propyl-2-pyrazolin-3-one Formula: C14H16ClFN2O3S MolecularWeight: 346.804843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C

Isomeric SMILES

CCCC1=NN(C(=O)C1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C

InChI

InChI=1S/C14H16ClFN2O3S/c1-3-5-13-10(14(19)18(17-13)22(2,20)21)8-9-11(15)6-4-7-12(9)16/h4,6-7,10H,3,5,8H2,1-2H3