N-(2-cyanoethyl)-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C18H21FN6O2S MolecularWeight: 404.461743

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

InChI

InChI=1S/C18H21FN6O2S/c1-23(7-3-6-20)16(26)13-28-18-22-21-17(24-8-10-27-11-9-24)25(18)15-5-2-4-14(19)12-15/h2,4-5,12H,3,7-11,13H2,1H3