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

Systemtic Name: N-(2-methylpropyl)-2-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-isobutyl-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-(2-methylpropyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-(2-methylpropyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-isobutyl-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C18H21F5N4OS MolecularWeight: 436.442556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F5N4OS/c1-4-5-11(17(28)27(6-9(2)3)18-24-8-25-26-18)29-7-10-12(19)14(21)16(23)15(22)13(10)20/h8-9,11H,4-7H2,1-3H3,(H,24,25,26)