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

Systemtic Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-1-ium-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)pyridin-1-ium-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridin-1-iumyl]thio]methyl]benzoate IUPAC Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-1-ium-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)pyridin-1-ium-2-yl]thio]methyl]benzoate Formula: C24H15ClN2O2S2 MolecularWeight: 462.9711

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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)SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=[NH+]C(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C24H15ClN2O2S2/c25-18-9-7-16(8-10-18)19-12-21(22-2-1-11-30-22)27-23(20(19)13-26)31-14-15-3-5-17(6-4-15)24(28)29/h1-12H,14H2,(H,28,29)