6-chloranyl-3-(3,5-dimethyl-2-methylsulfanyl-phenoxy)-1H-pyridazin-4-one

Systemtic Name: 6-chloranyl-3-(3,5-dimethyl-2-methylsulfanyl-phenoxy)-1H-pyridazin-4-one Openeye Name: 6-chloro-3-(3,5-dimethyl-2-methylsulfanyl-phenoxy)-1H-pyridazin-4-one CAS Name: 6-chloro-3-[3,5-dimethyl-2-(methylthio)phenoxy]-1H-pyridazin-4-one IUPAC Name: 6-chloro-3-(3,5-dimethyl-2-methylsulfanylphenoxy)-1H-pyridazin-4-one Traditional Name: 6-chloro-3-[3,5-dimethyl-2-(methylthio)phenoxy]-1H-pyridazin-4-one Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=NNC(=CC2=O)Cl)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=NNC(=CC2=O)Cl)SC)C

InChI

InChI=1S/C13H13ClN2O2S/c1-7-4-8(2)12(19-3)10(5-7)18-13-9(17)6-11(14)15-16-13/h4-6H,1-3H3,(H,15,17)