4-(2-fluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(2-fluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Openeye Name: 4-(2-fluorophenyl)-2-(2-thienylmethylsulfanyl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile CAS Name: 4-(2-fluorophenyl)-2-(thiophen-2-ylmethylthio)-6-(trifluoromethyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(2-fluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Traditional Name: 4-(2-fluorophenyl)-2-(2-thenylthio)-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Formula: C18H11F4N2S2+ MolecularWeight: 395.416953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=[NH+]C(=C2C#N)SCC3=CC=CS3)C(F)(F)F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=[NH+]C(=C2C#N)SCC3=CC=CS3)C(F)(F)F)F

InChI

InChI=1S/C18H10F4N2S2/c19-15-6-2-1-5-12(15)13-8-16(18(20,21)22)24-17(14(13)9-23)26-10-11-4-3-7-25-11/h1-8H,10H2/p+1