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

Systemtic Name: propyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: propyl 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]benzoic acid propyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S/c1-4-9-23-19(22)16-7-5-15(6-8-16)12-24-18-17(11-20)13(2)10-14(3)21-18/h5-8,10H,4,9,12H2,1-3H3