4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-(1,3-benzothiazol-2-yl)-5-phenyl-pyrazol-3-one

Systemtic Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-(1,3-benzothiazol-2-yl)-5-phenyl-pyrazol-3-one Openeye Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylene]-2-(1,3-benzothiazol-2-yl)-5-phenyl-pyrazol-3-one CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-(1,3-benzothiazol-2-yl)-5-phenyl-3-pyrazolone IUPAC Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-(1,3-benzothiazol-2-yl)-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(piperonylamino)methylene]-2-pyrazolin-3-one Formula: C25H18N4O3S MolecularWeight: 454.50042

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C25H18N4O3S/c30-24-18(14-26-13-16-10-11-20-21(12-16)32-15-31-20)23(17-6-2-1-3-7-17)28-29(24)25-27-19-8-4-5-9-22(19)33-25/h1-12,14,26H,13,15H2