(5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: (5Z)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C28H32N4OS MolecularWeight: 472.64488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)S2

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)/C(=C/C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)/S2

InChI

InChI=1S/C28H32N4OS/c33-26-24(34-27(29-26)31-9-5-2-6-10-31)14-22-18-32(23-7-3-1-4-8-23)30-25(22)28-15-19-11-20(16-28)13-21(12-19)17-28/h1,3-4,7-8,14,18-21H,2,5-6,9-13,15-17H2/b24-14-