N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H18F3N3O3S/c19-18(20,21)13-4-5-15(23-7-9-27-10-8-23)14(11-13)22-16(25)12-28-17-3-1-2-6-24(17)26/h1-6,11H,7-10,12H2,(H,22,25)