2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]acetic acid Formula: C20H12Cl2N2O2S MolecularWeight: 415.29248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H12Cl2N2O2S/c21-14-5-1-12(2-6-14)16-9-18(13-3-7-15(22)8-4-13)24-20(17(16)10-23)27-11-19(25)26/h1-9H,11H2,(H,25,26)