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

Systemtic Name: ethyl 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridin-1-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-amino-3,5-dicyano-4-phenylpyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)thio]acetic acid ethyl ester Formula: C17H15N4O2S+ MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2S/c1-2-23-14(22)10-24-17-13(9-19)15(11-6-4-3-5-7-11)12(8-18)16(20)21-17/h3-7H,2,10H2,1H3,(H2,20,21)/p+1