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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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