4-methylsulfanyl-5-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one

Systemtic Name: 4-methylsulfanyl-5-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one Openeye Name: 4-methylsulfanyl-5-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one CAS Name: 4-(methylthio)-5-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one IUPAC Name: 4-methylsulfanyl-5-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one Traditional Name: 4-(methylthio)-5-phenyl-6,6-bis(trifluoromethyl)-1H-s-triazin-2-one Formula: C12H9F6N3OS MolecularWeight: 357.274779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)NC(N1C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=NC(=O)NC(N1C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H9F6N3OS/c1-23-9-19-8(22)20-10(11(13,14)15,12(16,17)18)21(9)7-5-3-2-4-6-7/h2-6H,1H3,(H,20,22)