2-[2-(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-(3-cyano-4,6-diphenylpyridin-1-ium-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)thio]acetyl]amino]acetate Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)NCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)NCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H17N3O3S/c23-12-18-17(15-7-3-1-4-8-15)11-19(16-9-5-2-6-10-16)25-22(18)29-14-20(26)24-13-21(27)28/h1-11H,13-14H2,(H,24,26)(H,27,28)