5,5-dimethyl-3-morpholin-4-yl-2-(4-nitrophenyl)sulfanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-morpholin-4-yl-2-(4-nitrophenyl)sulfanyl-cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-morpholino-2-(4-nitrophenyl)sulfanyl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-(4-morpholinyl)-2-[(4-nitrophenyl)thio]-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-morpholin-4-yl-2-(4-nitrophenyl)sulfanylcyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-morpholino-2-[(4-nitrophenyl)thio]cyclohex-2-en-1-one Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C18H22N2O4S/c1-18(2)11-15(19-7-9-24-10-8-19)17(16(21)12-18)25-14-5-3-13(4-6-14)20(22)23/h3-6H,7-12H2,1-2H3