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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(3-pyridylmethylamino)methylene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(3-pyridinylmethylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(3-pyridylmethylamino)methylene]-2-pyrazolin-3-one Formula: C23H17N5OS MolecularWeight: 411.47898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CN=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CN=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H17N5OS/c29-22-18(15-25-14-16-7-6-12-24-13-16)21(17-8-2-1-3-9-17)27-28(22)23-26-19-10-4-5-11-20(19)30-23/h1-13,15,25H,14H2