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

Systemtic Name: 4-[(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]methyl]benzoate IUPAC Name: 4-[(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]methyl]benzoate Formula: C22H13N2O2S3- MolecularWeight: 433.54582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CS4

InChI

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