2-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-methoxy-5-sulfanyl-pyridazin-3-one

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-methoxy-5-sulfanyl-pyridazin-3-one Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxy-5-sulfanyl-pyridazin-3-one CAS Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-mercapto-4-methoxy-3-pyridazinone IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxy-5-sulfanylpyridazin-3-one Traditional Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-mercapto-4-methoxy-pyridazin-3-one Formula: C12H8ClF3N2O2S MolecularWeight: 336.71733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)S

Isomeric SMILES

COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)S

InChI

InChI=1S/C12H8ClF3N2O2S/c1-20-10-9(21)5-17-18(11(10)19)6-2-3-8(13)7(4-6)12(14,15)16/h2-5,21H,1H3