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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanylethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanylacetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridin-1-iumyl]thio]acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]thio]acetamide Formula: C15H12N5O2S+ MolecularWeight: 326.35308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N)O

InChI

InChI=1S/C15H11N5O2S/c16-5-10-13(8-1-3-9(21)4-2-8)11(6-17)15(20-14(10)19)23-7-12(18)22/h1-4,21H,7H2,(H2,18,22)(H2,19,20)/p+1