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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(tetrahydrofuran-2-ylmethylamino)methylene]pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-oxolanylmethylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(tetrahydrofurfurylamino)methylene]-2-pyrazolin-3-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S/c27-21-17(14-23-13-16-9-6-12-28-16)20(15-7-2-1-3-8-15)25-26(21)22-24-18-10-4-5-11-19(18)29-22/h1-5,7-8,10-11,14,16,23H,6,9,12-13H2/b17-14+