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

Systemtic Name: 5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-thiazol-4-one CAS Name: 5-[[3-(4-butoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(4-morpholinyl)-4-thiazolone IUPAC Name: 5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-2-thiazolin-4-one Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O3S/c1-3-4-14-35-24-11-10-21(17-20(24)2)26-22(19-32(30-26)23-8-6-5-7-9-23)18-25-27(33)29-28(36-25)31-12-15-34-16-13-31/h5-11,17-19H,3-4,12-16H2,1-2H3