2-tert-butyl-5-(1H-pyrazol-4-ylsulfanyl)-1-[4,4,4-tris(fluoranyl)butyl]benzimidazole

Systemtic Name: 2-tert-butyl-5-(1H-pyrazol-4-ylsulfanyl)-1-[4,4,4-tris(fluoranyl)butyl]benzimidazole Openeye Name: 2-tert-butyl-5-(1H-pyrazol-4-ylsulfanyl)-1-(4,4,4-trifluorobutyl)benzimidazole CAS Name: 2-tert-butyl-5-(1H-pyrazol-4-ylthio)-1-(4,4,4-trifluorobutyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(1H-pyrazol-4-ylsulfanyl)-1-(4,4,4-trifluorobutyl)benzimidazole Traditional Name: 2-tert-butyl-5-(1H-pyrazol-4-ylthio)-1-(4,4,4-trifluorobutyl)benzimidazole Formula: C18H21F3N4S MolecularWeight: 382.44635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CCCC(F)(F)F)C=CC(=C2)SC3=CNN=C3

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CCCC(F)(F)F)C=CC(=C2)SC3=CNN=C3

InChI

InChI=1S/C18H21F3N4S/c1-17(2,3)16-24-14-9-12(26-13-10-22-23-11-13)5-6-15(14)25(16)8-4-7-18(19,20)21/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,23)