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

Systemtic Name: 4-propyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-propyl-3-[[2-(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-propyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-propyl-3-[[2-(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazol-5-one Formula: C13H14F3N3OS MolecularWeight: 317.32997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H14F3N3OS/c1-2-7-19-11(20)17-18-12(19)21-8-9-5-3-4-6-10(9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,20)