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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=CC=C2)C(F)(F)F

InChI

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