4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]methyl]benzoate IUPAC Name: 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]methyl]benzoate Formula: C25H17N2O3S2- MolecularWeight: 457.54408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CS4

InChI

InChI=1S/C25H18N2O3S2/c1-30-19-10-8-17(9-11-19)20-13-22(23-3-2-12-31-23)27-24(21(20)14-26)32-15-16-4-6-18(7-5-16)25(28)29/h2-13H,15H2,1H3,(H,28,29)/p-1