ethyl 5-azanyl-8-cyano-1-ethyl-2-ethylsulfanyl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carboxylate iodide

Systemtic Name: ethyl 5-azanyl-8-cyano-1-ethyl-2-ethylsulfanyl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carboxylate iodide Openeye Name: ethyl 5-amino-8-cyano-1-ethyl-2-ethylsulfanyl-7-(2-thienyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carboxylate iodide CAS Name: 5-amino-8-cyano-1-ethyl-2-(ethylthio)-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 5-amino-8-cyano-1-ethyl-2-ethylsulfanyl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carboxylate iodide Traditional Name: 5-amino-8-cyano-1-ethyl-2-(ethylthio)-7-(2-thienyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-carboxylic acid ethyl ester iodide Formula: C18H20IN5O2S2 MolecularWeight: 529.41817

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=[N+](C(=C(C(=C2C#N)C3=CC=CS3)C(=O)OCC)N)N=C1SCC.[I-]

Isomeric SMILES

CCN1C2=[N+](C(=C(C(=C2C#N)C3=CC=CS3)C(=O)OCC)N)N=C1SCC.[I-]

InChI

InChI=1S/C18H19N5O2S2.HI/c1-4-22-16-11(10-19)13(12-8-7-9-27-12)14(17(24)25-5-2)15(20)23(16)21-18(22)26-6-3;/h7-9,20H,4-6H2,1-3H3;1H