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

Systemtic Name: propyl 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate Openeye Name: propyl 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid propyl ester IUPAC Name: propyl 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetic acid propyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c1-2-3-18-10(17)7-19-12-9(6-14)4-8(5-13)11(15)16-12/h4H,2-3,7H2,1H3,(H2,15,16)