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

Systemtic Name: 2-[4-(4-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]thio]acetic acid Formula: C20H13ClN2O2S MolecularWeight: 380.84742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)O

InChI

InChI=1S/C20H13ClN2O2S/c21-15-8-6-13(7-9-15)16-10-18(14-4-2-1-3-5-14)23-20(17(16)11-22)26-12-19(24)25/h1-10H,12H2,(H,24,25)