N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: N-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: N-[(2,3,4,5,6-pentafluorophenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: N-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: N-[(2,3,4,5,6-pentafluorobenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C13H11F5N4OS MolecularWeight: 366.309656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=NC=NN1)SCC2=C(C(=C(C(=C2F)F)F)F)F

Isomeric SMILES

CCCC(=O)N(C1=NC=NN1)SCC2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C13H11F5N4OS/c1-2-3-7(23)22(13-19-5-20-21-13)24-4-6-8(14)10(16)12(18)11(17)9(6)15/h5H,2-4H2,1H3,(H,19,20,21)