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

Systemtic Name: ethyl 2-[6-azanyl-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C17H15N4O3S+ MolecularWeight: 355.391

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)O)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)O)C#N

InChI

InChI=1S/C17H14N4O3S/c1-2-24-14(23)9-25-17-13(8-19)15(12(7-18)16(20)21-17)10-3-5-11(22)6-4-10/h3-6,22H,2,9H2,1H3,(H2,20,21)/p+1