N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C19H16F6N3O2S+ MolecularWeight: 464.404659

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H15F6N3O2S/c1-2-30-13-3-4-14-15(8-13)28-17(27-14)31-9-16(29)26-12-6-10(18(20,21)22)5-11(7-12)19(23,24)25/h3-8H,2,9H2,1H3,(H,26,29)(H,27,28)/p+1