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

Systemtic Name: 5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-thiazol-4-one CAS Name: 5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-(4-morpholinyl)-4-thiazolone IUPAC Name: 5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(4-isoamoxyphenyl)-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:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O3S/c1-20(2)12-15-35-24-10-8-21(9-11-24)26-22(19-32(30-26)23-6-4-3-5-7-23)18-25-27(33)29-28(36-25)31-13-16-34-17-14-31/h3-11,18-20H,12-17H2,1-2H3