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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: 2-[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridin-1-iumyl]thio]acetate IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]thio]acetate Formula: C15H10N4O3S MolecularWeight: 326.3299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O3S/c16-5-10-13(8-1-3-9(20)4-2-8)11(6-17)15(19-14(10)18)23-7-12(21)22/h1-4,20H,7H2,(H2,18,19)(H,21,22)