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

Systemtic Name: 4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O2S/c23-18-8-4-9-19(16-18)27-21(26-11-13-29-14-12-26)24-25-22(27)30-15-5-10-20(28)17-6-2-1-3-7-17/h1-4,6-9,16H,5,10-15H2