7,7-dimethyl-3-methylsulfanyl-1-[(5R)-5-oxidanyl-5-(trifluoromethyl)-1,4-dihydropyrazol-3-yl]-5,6-dihydro-2-benzothiophen-4-one

Systemtic Name: 7,7-dimethyl-3-methylsulfanyl-1-[(5R)-5-oxidanyl-5-(trifluoromethyl)-1,4-dihydropyrazol-3-yl]-5,6-dihydro-2-benzothiophen-4-one Openeye Name: 1-[(5R)-5-hydroxy-5-(trifluoromethyl)-1,4-dihydropyrazol-3-yl]-7,7-dimethyl-3-methylsulfanyl-5,6-dihydro-2-benzothiophen-4-one CAS Name: 1-[(5R)-5-hydroxy-5-(trifluoromethyl)-1,4-dihydropyrazol-3-yl]-7,7-dimethyl-3-(methylthio)-5,6-dihydro-2-benzothiophen-4-one IUPAC Name: 1-[(5R)-5-hydroxy-5-(trifluoromethyl)-1,4-dihydropyrazol-3-yl]-7,7-dimethyl-3-methylsulfanyl-5,6-dihydro-2-benzothiophen-4-one Traditional Name: 1-[(5R)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-3-yl]-7,7-dimethyl-3-(methylthio)-5,6-dihydroisobenzothiophen-4-one Formula: C15H17F3N2O2S2 MolecularWeight: 378.43289

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C(SC(=C21)C3=NNC(C3)(C(F)(F)F)O)SC)C

Isomeric SMILES

CC1(CCC(=O)C2=C(SC(=C21)C3=NN[C@@](C3)(C(F)(F)F)O)SC)C

InChI

InChI=1S/C15H17F3N2O2S2/c1-13(2)5-4-8(21)9-10(13)11(24-12(9)23-3)7-6-14(22,20-19-7)15(16,17)18/h20,22H,4-6H2,1-3H3/t14-/m1/s1