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

Systemtic Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C28H30N4OS2 MolecularWeight: 502.694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4OS2/c1-2-3-18-34-24-14-12-21(13-15-24)26-22(20-32(30-26)23-10-6-4-7-11-23)19-25-27(33)29-28(35-25)31-16-8-5-9-17-31/h4,6-7,10-15,19-20H,2-3,5,8-9,16-18H2,1H3