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

Systemtic Name: 4-[2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethyl]benzoic acid Openeye Name: 4-[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]ethyl]benzoic acid CAS Name: 4-[2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]ethyl]benzoic acid IUPAC Name: 4-[2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]ethyl]benzoic acid Formula: C23H16N2O2S3 MolecularWeight: 448.58034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCCC3=CC=C(C=C3)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCCC3=CC=C(C=C3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C23H16N2O2S3/c24-14-18-17(20-3-1-10-28-20)13-19(21-4-2-11-29-21)25-22(18)30-12-9-15-5-7-16(8-6-15)23(26)27/h1-8,10-11,13H,9,12H2,(H,26,27)