3-[1-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxythian-4-one

Systemtic Name: 3-[1-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxythian-4-one Openeye Name: 3-[1-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxytetrahydrothiopyran-4-one CAS Name: 3-[[1-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]oxy]-4-thianone IUPAC Name: 3-[1-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]oxythian-4-one Traditional Name: 3-[1-ethyl-4-(4-fluorophenyl)-5-(4-mesylphenyl)pyrazol-3-yl]oxytetrahydrothiopyran-4-one Formula: C23H23FN2O4S2 MolecularWeight: 474.568123

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)OC2CSCCC2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)OC2CSCCC2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H23FN2O4S2/c1-3-26-22(16-6-10-18(11-7-16)32(2,28)29)21(15-4-8-17(24)9-5-15)23(25-26)30-20-14-31-13-12-19(20)27/h4-11,20H,3,12-14H2,1-2H3