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

Systemtic Name: 1-[(5Z)-5-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(5Z)-5-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[(5Z)-5-[[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[(5Z)-5-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(5Z)-5-[[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thiazolin-2-yl]isonipecotamide Formula: C27H27N5O2S2 MolecularWeight: 517.66558

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S2/c1-2-35-22-10-8-18(9-11-22)24-20(17-32(30-24)21-6-4-3-5-7-21)16-23-26(34)29-27(36-23)31-14-12-19(13-15-31)25(28)33/h3-11,16-17,19H,2,12-15H2,1H3,(H2,28,33)/b23-16-