ethyl 2-azanyl-6-butylsulfanyl-5-cyano-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-butylsulfanyl-5-cyano-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-6-butylsulfanyl-5-cyano-pyridine-3-carboxylate CAS Name: 2-amino-6-(butylthio)-5-cyano-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-butylsulfanyl-5-cyanopyridine-3-carboxylate Traditional Name: 2-amino-6-(butylthio)-5-cyano-nicotinic acid ethyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C=C1C#N)C(=O)OCC)N

Isomeric SMILES

CCCCSC1=NC(=C(C=C1C#N)C(=O)OCC)N

InChI

InChI=1S/C13H17N3O2S/c1-3-5-6-19-12-9(8-14)7-10(11(15)16-12)13(17)18-4-2/h7H,3-6H2,1-2H3,(H2,15,16)