4-[1-ethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[[3-(trifluoromethyl)benzyl]thio]benzimidazol-5-yl]sulfonylmorpholine Formula: C21H22F3N3O3S2 MolecularWeight: 485.54289

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3S2/c1-2-27-19-7-6-17(32(28,29)26-8-10-30-11-9-26)13-18(19)25-20(27)31-14-15-4-3-5-16(12-15)21(22,23)24/h3-7,12-13H,2,8-11,14H2,1H3