propan-2-yl 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetic acid isopropyl ester Formula: C12H13N4O2S+ MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CC(C)OC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C12H12N4O2S/c1-7(2)18-10(17)6-19-12-9(5-14)3-8(4-13)11(15)16-12/h3,7H,6H2,1-2H3,(H2,15,16)/p+1