butyl 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate

Systemtic Name: butyl 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate Openeye Name: butyl 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetic acid butyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N

InChI

InChI=1S/C13H14N4O2S/c1-2-3-4-19-11(18)8-20-13-10(7-15)5-9(6-14)12(16)17-13/h5H,2-4,8H2,1H3,(H2,16,17)