phenyl 2-[3-cyano-4-(4-fluorophenyl)-6-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: phenyl 2-[3-cyano-4-(4-fluorophenyl)-6-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: phenyl 2-[3-cyano-4-(4-fluorophenyl)-6-(2-furyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[3-cyano-4-(4-fluorophenyl)-6-(2-furanyl)-2-pyridin-1-iumyl]thio]acetic acid phenyl ester IUPAC Name: phenyl 2-[3-cyano-4-(4-fluorophenyl)-6-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-fluorophenyl)-6-(2-furyl)pyridin-1-ium-2-yl]thio]acetic acid phenyl ester Formula: C24H16FN2O3S+ MolecularWeight: 431.458843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CSC2=C(C(=CC(=[NH+]2)C3=CC=CO3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CSC2=C(C(=CC(=[NH+]2)C3=CC=CO3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C24H15FN2O3S/c25-17-10-8-16(9-11-17)19-13-21(22-7-4-12-29-22)27-24(20(19)14-26)31-15-23(28)30-18-5-2-1-3-6-18/h1-13H,15H2/p+1