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

Systemtic Name: 2-[4-[(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]methyl]phenyl]acetic acid Formula: C23H16N2O2S3 MolecularWeight: 448.58034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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