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

Systemtic Name: 5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[1-phenyl-3-(3-propoxyphenyl)-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[1-phenyl-3-(3-propoxyphenyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2S/c1-2-16-33-23-13-9-10-20(17-23)25-21(19-31(29-25)22-11-5-3-6-12-22)18-24-26(32)28-27(34-24)30-14-7-4-8-15-30/h3,5-6,9-13,17-19H,2,4,7-8,14-16H2,1H3