2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-butyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]acetate Formula: C14H14F3N2O2S- MolecularWeight: 331.33337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)[O-]

InChI

InChI=1S/C14H15F3N2O2S/c1-2-3-6-19-11-5-4-9(14(15,16)17)7-10(11)18-13(19)22-8-12(20)21/h4-5,7H,2-3,6,8H2,1H3,(H,20,21)/p-1