methyl 4-[2-azanyl-3,5-dicyano-6-(cyanomethylsulfanyl)pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3,5-dicyano-6-(cyanomethylsulfanyl)pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3,5-dicyano-6-(cyanomethylsulfanyl)-4-pyridyl]benzoate CAS Name: 4-[2-amino-3,5-dicyano-6-(cyanomethylthio)-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3,5-dicyano-6-(cyanomethylsulfanyl)pyridin-4-yl]benzoate Traditional Name: 4-[2-amino-3,5-dicyano-6-(cyanomethylthio)-4-pyridyl]benzoic acid methyl ester Formula: C17H11N5O2S MolecularWeight: 349.36654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC#N)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC#N)N)C#N

InChI

InChI=1S/C17H11N5O2S/c1-24-17(23)11-4-2-10(3-5-11)14-12(8-19)15(21)22-16(13(14)9-20)25-7-6-18/h2-5H,7H2,1H3,(H2,21,22)