2-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-methylsulfanyl-1H-pyridazine-3,4-dione

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-methylsulfanyl-1H-pyridazine-3,4-dione Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylsulfanyl-1H-pyridazine-3,4-dione CAS Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methylthio)-1H-pyridazine-3,4-dione IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylsulfanyl-1H-pyridazine-3,4-dione Traditional Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methylthio)-1H-pyridazine-3,4-quinone Formula: C12H8ClF3N2O2S MolecularWeight: 336.71733

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CNN(C(=O)C1=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CSC1=CNN(C(=O)C1=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

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