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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CN1C(=O)NN=C1SCC2=CC=CC=C2C(F)(F)F

InChI

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