1-(3,5-dimethylphenyl)-3-morpholin-4-yl-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(3,5-dimethylphenyl)-3-morpholin-4-yl-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3,5-dimethylphenyl)-3-morpholino-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3,5-dimethylphenyl)-3-(4-morpholinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3,5-dimethylphenyl)-3-morpholin-4-yl-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3,5-dimethylphenyl)-3-morpholino-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4)C

InChI

InChI=1S/C22H22N2O3S/c1-15-12-16(2)14-17(13-15)24-21(25)19(23-8-10-27-11-9-23)20(22(24)26)28-18-6-4-3-5-7-18/h3-7,12-14H,8-11H2,1-2H3