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

Systemtic Name: methyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C17H16N2O2S/c1-11-8-12(2)19-16(15(11)9-18)22-10-13-4-6-14(7-5-13)17(20)21-3/h4-8H,10H2,1-3H3