1-[2,5-bis(fluoranyl)phenyl]-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile Openeye Name: 1-(2,5-difluorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile CAS Name: 1-(2,5-difluorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)-5-benzimidazol-1-iumcarbonitrile IUPAC Name: 1-(2,5-difluorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile Traditional Name: 1-(2,5-difluorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile Formula: C20H16F2N5+ MolecularWeight: 364.371346

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=NC2=C1C=CC(=C2C3=CC=NN3)C#N)C)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CC[N+]1(C(=NC2=C1C=CC(=C2C3=CC=NN3)C#N)C)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C20H16F2N5/c1-3-27(18-10-14(21)5-6-15(18)22)12(2)25-20-17(27)7-4-13(11-23)19(20)16-8-9-24-26-16/h4-10H,3H2,1-2H3,(H,24,26)/q+1