2-[6-azanyl-4-(4-butoxyphenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-4-(4-butoxyphenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylethanamide Openeye Name: 2-[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylacetamide CAS Name: 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridin-1-iumyl]thio]acetamide IUPAC Name: 2-[6-amino-4-(4-butoxyphenyl)-3,5-dicyanopyridin-1-ium-2-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]acetamide Formula: C19H20N5O2S+ MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N

InChI

InChI=1S/C19H19N5O2S/c1-2-3-8-26-13-6-4-12(5-7-13)17-14(9-20)18(23)24-19(15(17)10-21)27-11-16(22)25/h4-7H,2-3,8,11H2,1H3,(H2,22,25)(H2,23,24)/p+1