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

Systemtic Name: 5-[[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[3-(3-chloro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H27ClN4O2S/c1-2-15-34-23-12-11-19(16-22(23)28)25-20(18-32(30-25)21-9-5-3-6-10-21)17-24-26(33)29-27(35-24)31-13-7-4-8-14-31/h3,5-6,9-12,16-18H,2,4,7-8,13-15H2,1H3