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

Systemtic Name: 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]benzoate IUPAC Name: 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]benzoate Formula: C16H13N2O2S- MolecularWeight: 297.35162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C16H14N2O2S/c1-10-7-11(2)18-15(14(10)8-17)21-9-12-3-5-13(6-4-12)16(19)20/h3-7H,9H2,1-2H3,(H,19,20)/p-1