2-morpholin-4-yl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-morpholin-4-yl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-morpholino-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazol-4-one CAS Name: 2-(4-morpholinyl)-5-[[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: 2-morpholin-4-yl-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-morpholino-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thiazolin-4-one Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)S2

Isomeric SMILES

C1COCCN1C2=NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)S2

InChI

InChI=1S/C23H19N5O4S/c29-22-20(33-23(24-22)26-10-12-32-13-11-26)14-17-15-27(18-4-2-1-3-5-18)25-21(17)16-6-8-19(9-7-16)28(30)31/h1-9,14-15H,10-13H2