6-[[(5S)-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(5S)-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-sulfanyl-methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-mercaptomethylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-sulfanylmethylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-mercapto-methylene]cyclohexa-2,4-dien-1-one Formula: C17H13F3N2O2S MolecularWeight: 366.35753

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=C2C=CC=CC2=O)S)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN([C@]1(C(F)(F)F)O)C(=C2C=CC=CC2=O)S)C3=CC=CC=C3

InChI

InChI=1S/C17H13F3N2O2S/c18-17(19,20)16(24)10-13(11-6-2-1-3-7-11)21-22(16)15(25)12-8-4-5-9-14(12)23/h1-9,24-25H,10H2/t16-/m0/s1