4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C16H19FN4O2S MolecularWeight: 350.411063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

InChI

InChI=1S/C16H19FN4O2S/c1-12(22)5-10-24-16-19-18-15(20-6-8-23-9-7-20)21(16)14-4-2-3-13(17)11-14/h2-4,11H,5-10H2,1H3