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

Systemtic Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-thiazol-4-one CAS Name: 5-[[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-(4-morpholinyl)-4-thiazolone IUPAC Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-2-thiazolin-4-one Formula: C27H28N4O2S2 MolecularWeight: 504.66682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S2/c1-2-3-17-34-23-11-9-20(10-12-23)25-21(19-31(29-25)22-7-5-4-6-8-22)18-24-26(32)28-27(35-24)30-13-15-33-16-14-30/h4-12,18-19H,2-3,13-17H2,1H3