(phenylmethyl) 2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C23H16N2O2S3 MolecularWeight: 448.58034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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