3-[(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylmethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)C(=O)O

InChI

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