5-azanyl-4-chloranyl-2-[2-methylsulfanyl-3-(trifluoromethyl)phenyl]pyridazin-3-one

Systemtic Name: 5-azanyl-4-chloranyl-2-[2-methylsulfanyl-3-(trifluoromethyl)phenyl]pyridazin-3-one Openeye Name: 5-amino-4-chloro-2-[2-methylsulfanyl-3-(trifluoromethyl)phenyl]pyridazin-3-one CAS Name: 5-amino-4-chloro-2-[2-(methylthio)-3-(trifluoromethyl)phenyl]-3-pyridazinone IUPAC Name: 5-amino-4-chloro-2-[2-methylsulfanyl-3-(trifluoromethyl)phenyl]pyridazin-3-one Traditional Name: 5-amino-4-chloro-2-[2-(methylthio)-3-(trifluoromethyl)phenyl]pyridazin-3-one Formula: C12H9ClF3N3OS MolecularWeight: 335.73257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=C1N2C(=O)C(=C(C=N2)N)Cl)C(F)(F)F

Isomeric SMILES

CSC1=C(C=CC=C1N2C(=O)C(=C(C=N2)N)Cl)C(F)(F)F

InChI

InChI=1S/C12H9ClF3N3OS/c1-21-10-6(12(14,15)16)3-2-4-8(10)19-11(20)9(13)7(17)5-18-19/h2-5H,17H2,1H3