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

Systemtic Name: 5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C27H28N4OS2 MolecularWeight: 488.66742

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS2/c1-2-17-33-23-13-11-20(12-14-23)25-21(19-31(29-25)22-9-5-3-6-10-22)18-24-26(32)28-27(34-24)30-15-7-4-8-16-30/h3,5-6,9-14,18-19H,2,4,7-8,15-17H2,1H3