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

Systemtic Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)ethanamide Openeye Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-N,N-diisopropyl-acetamide CAS Name: 2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide Traditional Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-N,N-diisopropyl-acetamide Formula: C20H28FN5O2S MolecularWeight: 421.532023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN5O2S/c1-14(2)25(15(3)4)18(27)13-29-20-23-22-19(24-8-10-28-11-9-24)26(20)17-7-5-6-16(21)12-17/h5-7,12,14-15H,8-11,13H2,1-4H3