3-morpholin-4-yl-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

Systemtic Name: 3-morpholin-4-yl-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Openeye Name: 3-morpholino-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione CAS Name: 3-(4-morpholinyl)-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione IUPAC Name: 3-morpholin-4-yl-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Traditional Name: 3-morpholino-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]-3-pyrroline-2,5-quinone Formula: C21H17F3N2O3S MolecularWeight: 434.43149

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)SC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)SC4=CC=CC=C4

InChI

InChI=1S/C21H17F3N2O3S/c22-21(23,24)14-5-4-6-15(13-14)26-19(27)17(25-9-11-29-12-10-25)18(20(26)28)30-16-7-2-1-3-8-16/h1-8,13H,9-12H2