ethyl 2-azanyl-5-cyano-6-prop-2-enylsulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-prop-2-enylsulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-allylsulfanyl-2-amino-5-cyano-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-5-cyano-6-(prop-2-enylthio)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-prop-2-enylsulfanylpyridin-1-ium-3-carboxylate Traditional Name: 6-(allylthio)-2-amino-5-cyano-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C12H14N3O2S+ MolecularWeight: 264.32346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC=C)N

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)SCC=C)N

InChI

InChI=1S/C12H13N3O2S/c1-3-5-18-11-8(7-13)6-9(10(14)15-11)12(16)17-4-2/h3,6H,1,4-5H2,2H3,(H2,14,15)/p+1