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

Systemtic Name: 4-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-6-methyl-2-pyridinyl)thio]methyl]benzoate IUPAC Name: 4-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-6-methyl-2-pyridyl)thio]methyl]benzoate Formula: C15H11N2O2S- MolecularWeight: 283.32504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H12N2O2S/c1-10-2-5-13(8-16)14(17-10)20-9-11-3-6-12(7-4-11)15(18)19/h2-7H,9H2,1H3,(H,18,19)/p-1