2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: 2-[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridin-1-iumyl]thio]acetate IUPAC Name: 2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)pyridin-1-ium-2-yl]thio]acetate Formula: C18H11ClN2O2S2 MolecularWeight: 386.87514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=[NH+]C(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=[NH+]C(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)[O-]

InChI

InChI=1S/C18H11ClN2O2S2/c19-12-5-3-11(4-6-12)13-8-15(16-2-1-7-24-16)21-18(14(13)9-20)25-10-17(22)23/h1-8H,10H2,(H,22,23)