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

Systemtic Name: 4-[6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-thiophen-2-yl-pyridin-2-yl]benzoic acid Openeye Name: 4-[6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-thienyl)-2-pyridyl]benzoic acid CAS Name: 4-[6-[(4-chlorophenyl)methylthio]-5-cyano-4-thiophen-2-yl-2-pyridinyl]benzoic acid IUPAC Name: 4-[6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-thiophen-2-ylpyridin-2-yl]benzoic acid Traditional Name: 4-[6-[(4-chlorobenzyl)thio]-5-cyano-4-(2-thienyl)-2-pyridyl]benzoic acid Formula: C24H15ClN2O2S2 MolecularWeight: 462.9711

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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)