N-[2-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-oxo-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-2-oxoethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-2-keto-ethyl]-4-fluoro-benzenesulfonamide Formula: C19H18FN3O3S2 MolecularWeight: 419.492923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CNS(=O)(=O)C2=CC=C(C=C2)F)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)CNS(=O)(=O)C2=CC=C(C=C2)F)C)SC3=CC=CC=C3

InChI

InChI=1S/C19H18FN3O3S2/c1-13-19(27-16-6-4-3-5-7-16)14(2)23(22-13)18(24)12-21-28(25,26)17-10-8-15(20)9-11-17/h3-11,21H,12H2,1-2H3