3-[4-(2-hydroxyethylsulfanyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2-hydroxyethylsulfanyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(2-hydroxyethylsulfanyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-(2-hydroxyethylthio)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2-hydroxyethylsulfanyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2-hydroxyethylthio)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C13H11F3N2O2S MolecularWeight: 316.29885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NNC(=O)C=C2)C(F)(F)F)SCCO

Isomeric SMILES

C1=CC(=C(C=C1C2=NNC(=O)C=C2)C(F)(F)F)SCCO

InChI

InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-7-8(1-3-11(9)21-6-5-19)10-2-4-12(20)18-17-10/h1-4,7,19H,5-6H2,(H,18,20)