2-phenyl-5-phenylsulfanyl-6-(trifluoromethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-phenyl-5-phenylsulfanyl-6-(trifluoromethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-phenyl-5-phenylsulfanyl-6-(trifluoromethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-phenyl-5-(phenylthio)-6-(trifluoromethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-phenyl-5-phenylsulfanyl-6-(trifluoromethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-phenyl-5-(phenylthio)-6-(trifluoromethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H16F3NO2S MolecularWeight: 403.41745

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(CC(=C1C(F)(F)F)SC3=CC=CC=C3)C(=O)N(C2=O)C4=CC=CC=C4

Isomeric SMILES

C1C2C(CC(=C1C(F)(F)F)SC3=CC=CC=C3)C(=O)N(C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16F3NO2S/c22-21(23,24)17-11-15-16(12-18(17)28-14-9-5-2-6-10-14)20(27)25(19(15)26)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2