1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole

Systemtic Name: 1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole Openeye Name: 1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)vinyl]-5-(trifluoromethylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(E)-2-[4-(methylthio)phenyl]ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole Traditional Name: 1-ethyl-2-[(E)-2-[4-(methylthio)phenyl]vinyl]-5-triflyl-benzimidazole Formula: C19H17F3N2O2S2 MolecularWeight: 426.47569

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H17F3N2O2S2/c1-3-24-17-10-9-15(28(25,26)19(20,21)22)12-16(17)23-18(24)11-6-13-4-7-14(27-2)8-5-13/h4-12H,3H2,1-2H3/b11-6+