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

Systemtic Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C19H26FN5O2S MolecularWeight: 407.505443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

InChI

InChI=1S/C19H26FN5O2S/c1-3-5-14(2)21-17(26)13-28-19-23-22-18(24-8-10-27-11-9-24)25(19)16-7-4-6-15(20)12-16/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3,(H,21,26)/t14-/m0/s1