(2R)-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C17H21FN6O3S MolecularWeight: 408.450443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)SC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

InChI

InChI=1S/C17H21FN6O3S/c1-11(14(25)20-15(26)19-2)28-17-22-21-16(23-6-8-27-9-7-23)24(17)13-5-3-4-12(18)10-13/h3-5,10-11H,6-9H2,1-2H3,(H2,19,20,25,26)/t11-/m1/s1