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

Systemtic Name: octyl 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate Openeye Name: octyl 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid octyl ester IUPAC Name: octyl 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetic acid octyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-2-3-4-5-6-7-8-23-15(22)12-24-17-14(11-19)9-13(10-18)16(20)21-17/h9H,2-8,12H2,1H3,(H2,20,21)