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

Systemtic Name: 5-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(4-methyl-1-piperidyl)thiazol-4-one CAS Name: 5-[[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-(4-methyl-1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one Traditional Name: 5-[[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-2-(4-methylpiperidino)-2-thiazolin-4-one Formula: C27H28N4OS2 MolecularWeight: 488.66742

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4OS2/c1-3-33-23-11-9-20(10-12-23)25-21(18-31(29-25)22-7-5-4-6-8-22)17-24-26(32)28-27(34-24)30-15-13-19(2)14-16-30/h4-12,17-19H,3,13-16H2,1-2H3