N-(5-chloranyl-2-cyano-phenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H19ClN6O2S MolecularWeight: 406.88976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C#N)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C#N)N3CCOCC3

InChI

InChI=1S/C17H19ClN6O2S/c1-2-24-16(23-5-7-26-8-6-23)21-22-17(24)27-11-15(25)20-14-9-13(18)4-3-12(14)10-19/h3-4,9H,2,5-8,11H2,1H3,(H,20,25)