ethyl 2-[6-azanyl-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: ethyl 2-(6-amino-3,5-dicyano-4-isobutyl-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-methylpropyl)-2-pyridin-1-iumyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-isobutyl-pyridin-1-ium-2-yl)thio]acetic acid ethyl ester Formula: C15H19N4O2S+ MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S/c1-4-21-13(20)8-22-15-12(7-17)10(5-9(2)3)11(6-16)14(18)19-15/h9H,4-5,8H2,1-3H3,(H2,18,19)/p+1