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

Systemtic Name: 5-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-thiazol-4-one CAS Name: 5-[[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(4-morpholinyl)-4-thiazolone IUPAC Name: 5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-2-thiazolin-4-one Formula: C27H27ClN4O3S MolecularWeight: 523.04628

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O3S/c1-2-3-13-35-23-10-9-19(16-22(23)28)25-20(18-32(30-25)21-7-5-4-6-8-21)17-24-26(33)29-27(36-24)31-11-14-34-15-12-31/h4-10,16-18H,2-3,11-15H2,1H3