3-[5-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[5-(4-methoxyphenyl)-3-[2-(trifluoromethyl)-1-benzimidazol-1-iumylidene]-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[5-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[3-(4-methoxyphenyl)-5-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-3-pyrazolin-1-yl]propionitrile Formula: C21H17F3N5O+ MolecularWeight: 412.38779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[N+]3C4=CC=CC=C4N=C3C(F)(F)F)N(N2)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[N+]3C4=CC=CC=C4N=C3C(F)(F)F)N(N2)CCC#N

InChI

InChI=1S/C21H16F3N5O/c1-30-15-9-7-14(8-10-15)17-13-19(28(27-17)12-4-11-25)29-18-6-3-2-5-16(18)26-20(29)21(22,23)24/h2-3,5-10,13H,4,12H2,1H3/p+1