2-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 2-methyl-3-[[3-(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazol-5-one Formula: C11H10F3N3OS MolecularWeight: 289.27681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=O)N1)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CN1C(=NC(=O)N1)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C11H10F3N3OS/c1-17-10(15-9(18)16-17)19-6-7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H,16,18)