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

Systemtic Name: 4-[5-cyano-4-thiophen-2-yl-6-(thiophen-2-ylmethylsulfanyl)pyridin-2-yl]benzoic acid Openeye Name: 4-[5-cyano-4-(2-thienyl)-6-(2-thienylmethylsulfanyl)-2-pyridyl]benzoic acid CAS Name: 4-[5-cyano-4-thiophen-2-yl-6-(thiophen-2-ylmethylthio)-2-pyridinyl]benzoic acid IUPAC Name: 4-[5-cyano-4-thiophen-2-yl-6-(thiophen-2-ylmethylsulfanyl)pyridin-2-yl]benzoic acid Traditional Name: 4-[5-cyano-6-(2-thenylthio)-4-(2-thienyl)-2-pyridyl]benzoic acid Formula: C22H14N2O2S3 MolecularWeight: 434.55376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CS4)C#N

Isomeric SMILES

C1=CSC(=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CS4)C#N

InChI

InChI=1S/C22H14N2O2S3/c23-12-18-17(20-4-2-10-28-20)11-19(14-5-7-15(8-6-14)22(25)26)24-21(18)29-13-16-3-1-9-27-16/h1-11H,13H2,(H,25,26)