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

Systemtic Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19FN4O2S/c21-16-7-4-8-17(13-16)25-19(24-9-11-27-12-10-24)22-23-20(25)28-14-18(26)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2