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

Systemtic Name: 2-(4-methylpiperidin-1-yl)-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-(4-methyl-1-piperidyl)-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylene]thiazol-4-one CAS Name: 2-(4-methyl-1-piperidinyl)-5-[[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: 2-(4-methylpiperidin-1-yl)-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-methylpiperidino)-5-[[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]methylene]-2-thiazolin-4-one Formula: C28H30N4OS2 MolecularWeight: 502.694

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5

InChI

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