2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C22H14N2O2S3 MolecularWeight: 434.55376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

InChI

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