5-(4-methylsulfanylphenyl)-4-propoxy-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 5-(4-methylsulfanylphenyl)-4-propoxy-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 5-(4-methylsulfanylphenyl)-4-propoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-[4-(methylthio)phenyl]-4-propoxy-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfanylphenyl)-4-propoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-[4-(methylthio)phenyl]-4-propoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C16H17F3N2O2S MolecularWeight: 358.37859

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)SC

Isomeric SMILES

CCCOC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H17F3N2O2S/c1-3-8-23-14-13(11-4-6-12(24-2)7-5-11)9-20-21(15(14)22)10-16(17,18)19/h4-7,9H,3,8,10H2,1-2H3