(4-chlorophenyl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (4-chlorophenyl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: (4-chlorophenyl) 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid (4-chlorophenyl) ester Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)OC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)OC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H13ClN2O2S/c1-10-7-11(2)19-16(14(10)8-18)22-9-15(20)21-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3