ethyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]benzoic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C18H18N2O2S/c1-4-22-18(21)15-7-5-14(6-8-15)11-23-17-16(10-19)12(2)9-13(3)20-17/h5-9H,4,11H2,1-3H3