methyl 4-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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