methyl 4-[(3,5-dicyanopyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3,5-dicyanopyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3,5-dicyano-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3,5-dicyano-2-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dicyanopyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3,5-dicyano-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O2S/c1-21-16(20)13-4-2-11(3-5-13)10-22-15-14(8-18)6-12(7-17)9-19-15/h2-6,9H,10H2,1H3