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

Systemtic Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(4-methyl-1-piperidyl)thiazol-4-one CAS Name: 5-[[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-(4-methyl-1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one Traditional Name: 5-[[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-2-(4-methylpiperidino)-2-thiazolin-4-one Formula: C29H32N4OS2 MolecularWeight: 516.72058

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4OS2/c1-3-4-18-35-25-12-10-22(11-13-25)27-23(20-33(31-27)24-8-6-5-7-9-24)19-26-28(34)30-29(36-26)32-16-14-21(2)15-17-32/h5-13,19-21H,3-4,14-18H2,1-2H3