4-[6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-thiophen-2-yl-pyridin-2-yl]benzoate

Systemtic Name: 4-[6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-thiophen-2-yl-pyridin-2-yl]benzoate Openeye Name: 4-[6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-thienyl)-2-pyridyl]benzoate CAS Name: 4-[6-[(4-chlorophenyl)methylthio]-5-cyano-4-thiophen-2-yl-2-pyridinyl]benzoate IUPAC Name: 4-[6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-thiophen-2-ylpyridin-2-yl]benzoate Traditional Name: 4-[6-[(4-chlorobenzyl)thio]-5-cyano-4-(2-thienyl)-2-pyridyl]benzoate Formula: C24H14ClN2O2S2- MolecularWeight: 461.96316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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