diethyl 2-(6-azanyl-3,5-dicyano-4-methylsulfanyl-pyridin-2-yl)sulfanylpropanedioate

Systemtic Name: diethyl 2-(6-azanyl-3,5-dicyano-4-methylsulfanyl-pyridin-2-yl)sulfanylpropanedioate Openeye Name: diethyl 2-[(6-amino-3,5-dicyano-4-methylsulfanyl-2-pyridyl)sulfanyl]propanedioate CAS Name: 2-[[6-amino-3,5-dicyano-4-(methylthio)-2-pyridinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-amino-3,5-dicyano-4-methylsulfanylpyridin-2-yl)sulfanylpropanedioate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(methylthio)-2-pyridyl]thio]malonic acid diethyl ester Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=C(C(=C(C(=N1)N)C#N)SC)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=C(C(=C(C(=N1)N)C#N)SC)C#N

InChI

InChI=1S/C15H16N4O4S2/c1-4-22-14(20)11(15(21)23-5-2)25-13-9(7-17)10(24-3)8(6-16)12(18)19-13/h11H,4-5H2,1-3H3,(H2,18,19)