1-[5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-[5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-[[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-[5-[[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thiazolin-2-yl]isonipecotamide Formula: C29H31N5O2S2 MolecularWeight: 545.71874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2S2/c1-2-3-17-37-24-11-9-20(10-12-24)26-22(19-34(32-26)23-7-5-4-6-8-23)18-25-28(36)31-29(38-25)33-15-13-21(14-16-33)27(30)35/h4-12,18-19,21H,2-3,13-17H2,1H3,(H2,30,35)