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

Systemtic Name: 5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[3-(4-ethoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H28N4O2S/c1-3-33-22-12-13-23(19(2)16-22)25-20(18-31(29-25)21-10-6-4-7-11-21)17-24-26(32)28-27(34-24)30-14-8-5-9-15-30/h4,6-7,10-13,16-18H,3,5,8-9,14-15H2,1-2H3