N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H19F3N6O2S MolecularWeight: 464.46407

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C20H19F3N6O2S/c21-20(22,23)14-1-2-16(29-7-9-31-10-8-29)15(11-14)25-17(30)12-32-19-26-18(27-28-19)13-3-5-24-6-4-13/h1-6,11H,7-10,12H2,(H,25,30)(H,26,27,28)